(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C16H15BrN2O — CID 46632632

IUPAC(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H15BrN2O/c17-14-4-1-3-13(11-14)16(20)19-10-2-5-15(19)12-6-8-18-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2
InChIKeyCELMYULGNSDFGR-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.82
Rot. Bonds2

About (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 46632632) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID46632632
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H15BrN2O/c17-14-4-1-3-13(11-14)16(20)19-10-2-5-15(19)12-6-8-18-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2
InChIKeyCELMYULGNSDFGR-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[2-(3-bromophenyl)pyrrolidin-1-yl]-(2-ethoxy-4-pyridinyl)methanone
CID 86968098
(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42947361
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 46632632) is (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCCC1c1ccncc1.
What is the InChIKey of (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is CELMYULGNSDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-4-1-3-13(11-14)16(20)19-10-2-5-15(19)12-6-8-18-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2.
What are the key properties of (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 331.21 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46632632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).