Picolinoyl chloride hydrochloride

C₆H₅Cl₂NOCAS 39901-94-5178.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅Cl₂NO
Molar mass: 178.01 g/mol
Exact mass: 176.9748 Da
logP: 1.88Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed90.7% of notifiers
H314 Causes severe skin burns and eye damage11.6% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

39901-94-5

SMILES

C1=CC=NC(=C1)C(=O)Cl.Cl

InChIKey

VIPHVHVAGBKHGR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H;1H

Weigh it out

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

Names and synonyms

1 names

Pyridine-2-carbonyl chloride hydrochloride

Work with Picolinoyl chloride hydrochloride

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

Picolinic acid hydrochloride636-80-658 % similar 2-Pyridyl ketone19437-26-453 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-453 % similar 2,2′-Pyridil492-73-953 % similar Pyridine-2-carboximidamide hydrochloride51285-26-849 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-748 % similar 2-Acetylpyridine1122-62-948 % similar 2-Pyrazinecarbonyl chloride19847-10-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dichloro-4-pyridinemethanol101990-69-6 Nicotinic acid chloride hydrochloride20260-53-1 Isonicotinoyl chloride hydrochloride39178-35-3 5-Amino-2,4-dichlorophenol39489-79-7 4-Amino-2,5-dichlorophenol50392-39-7 2-Amino-4,6-dichlorophenol527-62-8 (5,6-Dichloropyridin-3-yl)methanol54127-30-9 (2,6-Dichloro-3-pyridinyl)methanol55304-90-0

Elsewhere

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