3-Chloroisonicotinic acid

CAT: 0127-OR6711-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR6711-01Size:500 mg

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CAS Number

88912-27-0

Synonyms

3-Chloropyridine-4-carboxylic acid

MDL Number

MFCD03094685

Purity

=95%

Smiles

OC(=O)c1ccncc1Cl

Chemical Information

3-Chloropyridine-4-carboxylic acid

CAS Number	88912-27-0
PubChem CID	2735816
IUPAC Name	3-chloropyridine-4-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=CN=CC(=C1C(=O)O)Cl

InChI

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

InChIKey

MYAZXWFEMDJTFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88912-27-0

CID: 2735816

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
OR29861-01	2-Chloroisonicotinic acid
OR91705-01	3-Bromo-2-chloroisonicotinic acid
OR43676-01	3-Amino-2-chloroisonicotinic acid
OR47894-01	2-Bromo-5-chloroisonicotinic acid
OR48249-01	2-Amino-6-chloroisonicotinic acid
OR3702-01	5-Bromo-2-chloroisonicotinic acid
OR16903	5-Amino-2-chloroisonicotinic acid
OR18623-01	5-Amino-2-chloroisonicotinic acid, 5-BOC protected
BUP18225	3,3-Dimethylglutaric acid
OR83892-01	3,3-Dimethoxypropanoic acid

Catalog	Name
abx181943-01	3-Chloroisonicotinic acid
NC70185-01	2-Chloroisonicotinic acid
423891-01	3-Amino-6-chloroisonicotinic Acid
KSB81126-01	2-Bromo-6-chloroisonicotinic Acid
435332-01	5-Bromo-2-chloroisonicotinic acid
414809-01	2-Acetamido-5-chloroisonicotinic Acid
sc-278047	5-Amino-2-chloroisonicotinic acid
sc-306261	2-[4- (tert-Butoxycarbonyl) piperazino]-3-chloroisonicotinic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
FAA96183-01	3,3-oxydipropanoic acid