[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone

C16H14BrClN2O — CID 66484320

IUPAC[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)15-5-2-8-20(15)16(21)13-6-7-19-10-14(13)18/h1,3-4,6-7,9-10,15H,2,5,8H2
InChIKeyJZJGOMMXUIRFCH-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.47
Rot. Bonds2

About [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone

[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 66484320) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID66484320
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)15-5-2-8-20(15)16(21)13-6-7-19-10-14(13)18/h1,3-4,6-7,9-10,15H,2,5,8H2
InChIKeyJZJGOMMXUIRFCH-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

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Related Compounds

(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95286779
(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
CID 63103415
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66482590
[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 55888696
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 66484320) is [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone is O=C(c1ccncc1Cl)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is JZJGOMMXUIRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)15-5-2-8-20(15)16(21)13-6-7-19-10-14(13)18/h1,3-4,6-7,9-10,15H,2,5,8H2.
What are the key properties of [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)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 [2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66484320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).