6-(Methoxycarbonyl)pyridine-2-carboxylic acid

C₈H₇NO₄CAS 7170-36-7181.15 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₈H₇NO₄
Molar mass: 181.15 g/mol
Exact mass: 181.0375 Da
logP: 0.57Crippen estimate
Polar surface area: 76.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

7170-36-7

SMILES

COC(=O)C1=CC=CC(=N1)C(=O)O

InChIKey

VWIOMFMPIVMLIR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,6-Pyridinedicarboxylic acid monomethyl ester

Work with 6-(Methoxycarbonyl)pyridine-2-carboxylic 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

Dimethyl 2,6-pyridinedicarboxylate5453-67-877 % similar Dipicolinic acid499-83-267 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-565 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-064 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-461 % similar Methyl 6-chloropicolinate6636-55-161 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-759 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook