6-Chloro-4-methoxy-3-pyridinecarboxylic acid

C7H6ClNO3CAS 716362-10-6187.58 g/mol

Open in Covalent MOL file
OClNOHO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
logP
1.44Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
716362-10-6
SMILES
COc1cc(Cl)ncc1C(=O)O
InChIKey
DFXUFJAAXAJWSA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3H,1H3,(H,10,11)

Weigh it out

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Names and synonyms

4 names
  • 3-Pyridinecarboxylic acid, 6-chloro-4-methoxy-
  • 6-Chloro-4-methoxynicotinic acid
  • 6-Chloro-4-methoxypyridine-3-carboxylic acid
  • 2-Chloro-4-methoxy-5-pyridinecarboxylic acid

Work with 6-Chloro-4-methoxy-3-pyridinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,6-Dichloronicotinic acid73027-79-961 % similar 5-Amino-2-chloroisonicotinic acid58483-95-757 % similar 2,4,5-Trimethoxybenzoic acid490-64-257 % similar 2,5-Dichloroisonicotinic acid88912-26-956 % similar 4-Chloro-2-methoxybenzoic acid57479-70-656 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-455 % similar 5-Bromo-2-chloroisonicotinic acid886365-31-754 % similar 5-Chloro-2-methoxybenzoic acid3438-16-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

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