5-Chloronicotinic acid

CAT: 0024-sc-268042Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-268042Size:1 g

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CAS Number

22620-27-5

Chemical Information

5-Chloronicotinic acid

CAS Number	22620-27-5
PubChem CID	247986
IUPAC Name	5-chloropyridine-3-carboxylic acid
Molecular Formula	C6H4ClNO2
Molecular Weight	157.55
XLogP	1
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	140

SMILES

C1=C(C=NC=C1Cl)C(=O)O

InChI

InChI=1S/C6H4ClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)

InChIKey

XYLPLVUYPAPCML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22620-27-5

CID: 247986

Formula: C6H4ClNO2

MW: 157.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.55
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	156.9930561
Monoisotopic Mass	156.9930561
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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
sc-267968	5-Bromo-6-chloronicotinic acid
sc-267950	5-Bromo-2-chloronicotinic acid
sc-239097	6-Chloronicotinic acid
sc-319293	6-Bromo-2-chloronicotinic acid
sc-306640A	2-Amino-6-chloronicotinic acid
sc-319293A	6-Bromo-2-chloronicotinic acid
sc-306640	2-Amino-6-chloronicotinic acid
sc-334918	2- (tert-Butoxycarbonylamino) -4-chloronicotinic acid
sc-352937	6- (3-Bromophenyl) -2-chloronicotinic acid
sc-209580	3-Chloropicolinic Acid

Catalog	Name
436236-01	5-Chloronicotinic Acid
435750-01	5-Bromo-6-chloronicotinic acid
OR78255-01	5-Bromo-4-chloronicotinic acid
OR183414	6-Bromo-5-chloronicotinic acid
OR6261	5-Bromo-2-chloronicotinic acid
RBA66811-01	6-Amino-5-chloronicotinic acid
416010-01	2-Bromo-5-chloronicotinic acid
OR18543	2- (Benzylamino) -5-chloronicotinic acid
FC37673-01	2-Chloronicotinic acid
267358-01	6-Chloronicotinic acid