Methyl 6-chloronicotinate

CAT: 0926-FM36752-01Size: 0.5 KgDry Ice: NoHazardous: No

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CAT#:0926-FM36752-01Size:0.5 Kg

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CAS Number

73781-91-6

MDL Number

MFCD00023420

Smiles

COC (=O) C1=CN=C (C=C1) Cl

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58 g/mol

Controlled

Chemical Information

Methyl 6-chloropyridine-3-carboxylate

CAS Number	73781-91-6
PubChem CID	254249
IUPAC Name	methyl 6-chloropyridine-3-carboxylate
Molecular Formula	C7H6ClNO2
Molecular Weight	171.58
XLogP	1.7
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

COC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

InChIKey

RMEDXVIWDFLGES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73781-91-6

CID: 254249

Formula: C7H6ClNO2

MW: 171.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.58
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	171.0087061
Monoisotopic Mass	171.0087061
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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
GAC78540-01	Methyl 4-amino-6-chloronicotinate
DDA68680-01	Methyl 6-bromo-5-chloronicotinate
GJB21163	Methyl 6-amino-5-chloronicotinate
QEA30957-01	Tert-Butyl 6-chloronicotinate
EXC38419	Methyl 2-bromo-4-chloronicotinate
ACA73533-01	Methyl 2-amino-5-chloronicotinate
HJA95183	Tert-Butyl 2-chloronicotinate
RBA84153-01	Methyl 4-methyl-6-oxoheptanoate
FAA60158-01	Methyl 6-methyl-7-oxooctanoate
PDA80965	Methyl 6-cyanonicotinate

Catalog	Name
455793-01	Methyl 6-Chloronicotinate
TYD-03061-01	Methyl 4-bromo-6-chloronicotinate
455775-01	Methyl 6-Bromo-2-chloronicotinate
455683-01	Methyl 5-bromo-6-chloronicotinate
OR87474-01	Methyl 4- (benzylamino) -6-chloronicotinate
OR941108-01	Methyl 6-bromo-4-chloronicotinate
OR303759	Methyl 2-amino-6-chloronicotinate
OR47836	Methyl 6-bromo-5-chloronicotinate
OR75799-01	Methyl 6-amino-2-chloronicotinate
OR76062-01	Methyl 4-amino-6-chloronicotinate