[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C16H15ClN2O — CID 58211047

IUPAC[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C16H15ClN2O/c17-13-7-2-1-6-12(13)14-8-5-9-15(18-14)16(20)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2
InChIKeyMBTOQGYBQWWSGV-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.64
Rot. Bonds2

About [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 58211047) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID58211047
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C16H15ClN2O/c17-13-7-2-1-6-12(13)14-8-5-9-15(18-14)16(20)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2
InChIKeyMBTOQGYBQWWSGV-UHFFFAOYSA-N
XLogP3.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58211293
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[6-(2-chlorophenyl)-2-pyridinyl]methanone
CID 58210862
[6-(2-chlorophenyl)-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
CID 58211141
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 58211047) is [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(-c2ccccc2Cl)n1)N1CCCC1.
What is the InChIKey of [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MBTOQGYBQWWSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-7-2-1-6-12(13)14-8-5-9-15(18-14)16(20)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2.
What are the key properties of [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 286.76 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58211047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).