2-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid

C₆H₄ClNO₃CAS 38025-90-0173.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄ClNO₃
Molar mass: 173.55 g/mol
Exact mass: 172.9880 Da
logP: 0.73Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38025-90-0

SMILES

C1=CC(=O)NC(=C1C(=O)O)Cl

InChIKey

BSCFFOOWFVZSSK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2H,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-6-hydroxynicotinic acid

Work with 2-Chloro-6-oxo-1,6-dihydropyridine-3-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

1,4,5,8-Naphthalenetetracarboxylic acid128-97-245 % similar 4-Chlorophthalic acid89-20-344 % similar 2-Hydroxyquinoline-4-carboxylic acid84906-81-044 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-242 % similar 2,4-Dichlorobenzoic acid50-84-042 % similar 2-Chlorobenzoic acid118-91-242 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-141 % similar Hemimellitic acid569-51-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-hydroxynicotinic acid38076-80-1 5-Chloro-6-hydroxy-3-pyridinecarboxylic acid54127-63-8 2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 Nitrofungin619-08-9 2-Chloro-5-nitrophenol619-10-3 4-Chloro-2-nitrophenol89-64-5

Elsewhere

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