1-Methyl-1H-pyrrole-2-carbonyl chloride

C₆H₆ClNOCAS 26214-68-6143.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆ClNO
Molar mass: 143.57 g/mol
Exact mass: 143.0138 Da
logP: 1.40Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

26214-68-6

SMILES

CN1C=CC=C1C(=O)Cl

InChIKey

JOYDZQJINHJNPM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names

1-Methylpyrrole-2-carbonyl chloride

Work with 1-Methyl-1H-pyrrole-2-carbonyl chloride

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

2-Acetyl-1-methylpyrrole932-16-158 % similar 2-Trichloroacetyl-1-methylpyrrole21898-65-758 % similar 1-Methyl-1H-pyrrole-2-carboxylic acid6973-60-056 % similar Methyl 1-methylpyrrole-2-carboxylate37619-24-253 % similar Phthaloyl chloride88-95-940 % similar 1-Methyl-1H-pyrrole-2-acetic acid21898-59-939 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-839 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-139 % similar

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

Same formula

(2-Chloropyridin-4-yl)methanol100704-10-7 3-Chloro-2-methoxypyridine13472-84-9 5-Chloro-2-methoxypyridine13473-01-3 2-Chloro-5-methoxypyridine139585-48-1 3-Amino-4-chlorophenol16026-77-0 2-Chloro-6-methoxypyridine17228-64-7 2-Chloro-4-methoxypyridine17228-69-2 4-Amino-3-chlorophenol17609-80-2

Elsewhere

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