(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone

C16H14BrClN2O — CID 66463523

IUPAC(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)nc1)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O/c17-15-7-6-12(10-19-15)16(21)20-8-2-5-14(20)11-3-1-4-13(18)9-11/h1,3-4,6-7,9-10,14H,2,5,8H2
InChIKeyXGRNBBHBRQVGHS-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.47
Rot. Bonds2

About (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone

(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 66463523) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID66463523
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)nc1)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O/c17-15-7-6-12(10-19-15)16(21)20-8-2-5-14(20)11-3-1-4-13(18)9-11/h1,3-4,6-7,9-10,14H,2,5,8H2
InChIKeyXGRNBBHBRQVGHS-UHFFFAOYSA-N
XLogP4.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423553
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66465121
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
[2-(3-chlorophenyl)pyrrolidin-1-yl]-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanone
CID 68655854
[2-(4-chlorophenyl)pyrimidin-5-yl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92614062
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone (CID 66463523) is (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)nc1)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is XGRNBBHBRQVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-15-7-6-12(10-19-15)16(21)20-8-2-5-14(20)11-3-1-4-13(18)9-11/h1,3-4,6-7,9-10,14H,2,5,8H2.
What are the key properties of (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 365.66 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66463523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).