3,4,5-Trichloropicolinonitrile

CAT: 0926-PFA48542-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-PFA48542-01Size:0.5 g

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CAS Number

139485-42-0

MDL Number

MFCD00160333

Smiles

C1=C (C (=C (C (=N1) C#N) Cl) Cl) Cl

Molecular Formula

C6HCl3N2

Molecular Weight

207.4 g/mol

Controlled

Chemical Information

3,4,5-Trichloropyridine-2-carbonitrile

CAS Number	139485-42-0
PubChem CID	728673
IUPAC Name	3,4,5-trichloropyridine-2-carbonitrile
Molecular Formula	C6HCl3N2
Molecular Weight	207.4
XLogP	2.8
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	188

SMILES

C1=C(C(=C(C(=N1)C#N)Cl)Cl)Cl

InChI

InChI=1S/C6HCl3N2/c7-3-2-11-4(1-10)6(9)5(3)8/h2H

InChIKey

UBUTVAIAQCVVBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139485-42-0

CID: 728673

Formula: C6HCl3N2

MW: 207.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	205.920531
Monoisotopic Mass	205.920531
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FH146375-01	3,3'4,4'5,5'-Hexabromobiphenyl
FH146371-01	2,3,3',4,4',5,5'-Heptabromobiphenyl
PBA63531-01	2,3,3',4,4',5,5'-Heptachlorobiphenyl
HHC68097-01	3,3,4,4,5,5-Hexafluoropiperidine hydrochloride
FH82722-01	3,3,4,4,5,5,5-Heptafluoro-1-pentanol
PBA63533-01	3,3',4,5,5'-Pentachlorobiphenyl
SCA88900-01	2,2',3,3',4,4',5,5'-Octabromobiphenyl
PQC20759-01	3,3,4,4,5,5-Hexafluoropentan-1-ol
ZCA47253-01	2,3,3',4,4',5,5',6-Octachlorobiphenyl
VCA36250-01	3,4,4',5-Tetrachlorobiphenyl

Catalog	Name
OR1041701-01	3,5,6-Trichloropicolinonitrile
PC5433	3,3,4,4,5,5,5-Heptafluoropentanal
sc-489616	3,4,5,3',4',5'-Hexabromobiphenyl
TRC-H295058-250MG	3,3',4,4',5,5'-Hexachlorobiphenyl
AR-B07324-01	3,3',4,4',5,5'-Hexabromodiphenyl
T06550	3,5,3',5'-Tetramethoxy-4 4-diphenoquinone
PC450392	4-Bromo-3,3,4,4-tetrafluorobutyl 4,4,5,5,5-pentafluoropentyl carbonate
433578-01	4,4'-Diamino-3,3',5,5'-tetrabromobiphenyl
TRC-A633024-10MG	4-Aminopiperidine-3,3,4,5,5-d5
H281065	2,3,3',4,4',5,5'-Heptabromobiphenyl