6-Chloronicotinic acid

CAT: 0127-OR5069-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR5069-01Size:25 g

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CAS Number

5326-23-8

Synonyms

6-Chloropyridine-3-carboxylic acid, 5-Carboxy-2-chloropyridine

MDL Number

MFCD00006241

Purity

98%

Smiles

OC(=O)c1ccc(Cl)nc1

Chemical Information

6-Chloronicotinic acid

6-Chloronicotinic acid is a member of pyridines and an aromatic carboxylic acid.

CAS Number	5326-23-8
PubChem CID	79222
IUPAC Name	6-chloropyridine-3-carboxylic acid
Molecular Formula	C6H4ClNO2
Molecular Weight	157.55
XLogP	2.7
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=CC(=NC=C1C(=O)O)Cl

InChI

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

InChIKey

UAWMVMPAYRWUFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5326-23-8

CID: 79222

Formula: C6H4ClNO2

MW: 157.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.55
XLogP3	2.7
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
OR83955-01	6-Amino-4-chloronicotinic acid
OR84372-01	6-Bromo-2-chloronicotinic acid
OR183414	6-Bromo-5-chloronicotinic acid
OR1040461-01	6-Amino-2-chloronicotinic acid
OR939267-01	6-Bromo-4-chloronicotinic acid
OR110434	6-Amino-5-chloronicotinic acid
OR83584	2,6-Dibromo-5-chloronicotinic acid
OR87330-01	6- (tert-Butyl) -2-chloronicotinic acid
OR12507	6- (3-Bromophenyl) -2-chloronicotinic acid
OR6712-01	4-Chloronicotinic acid

Catalog	Name
438438-01	6-Chloronicotinic Acid
234665-01	6-Chloronicotinic acid ≥97%
C15498-01	6-Chloronicotinic acid 99%
GAC83413-01	4-Bromo-6-chloronicotinic acid
HY-W002863-01	5-Bromo-6-chloronicotinic acid
TRC-B684118-500MG	6-Bromo-2-chloronicotinic Acid
TRC-C373680-25G	6-Chloronicotinic Acid Ethyl Ester
415336-01	2-Amino-6-chloronicotinic Acid
RBA66811-01	6-Amino-5-chloronicotinic acid
KSB80892-01	6-bromo-4-chloronicotinic acid