2-Chloro-6-methoxynicotinic acid - CAS 503000-87-1

Catalog:	BB026996
Product Name:	2-Chloro-6-methoxynicotinic acid
CAS:	503000-87-1
Synonyms:	2-chloro-6-methoxypyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-methoxypyridine-3-carboxylic acid
Description:	2-Chloro-6-methoxynicotinic acid (CAS# 503000-87-1) is a useful research chemical.
Molecular Weight:	187.58
Molecular Formula:	C7H6ClNO3
Canonical SMILES:	COC1=NC(=C(C=C1)C(=O)O)Cl
InChI:	InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
InChI Key:	JPBUYRWPJMVZKX-UHFFFAOYSA-N
Boiling Point:	310.391 °C at 760 mmHg
Density:	1.43 g/cm³
Appearance:	Solid
MDL:	MFCD08236845
LogP:	1.44180

Publication Number	Title	Priority Date
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US-2019185451-A1	Inhibitors of fibroblast activation protein	20171215

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0036207
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6