(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C17H17BrN2O — CID 65311628

IUPAC(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H17BrN2O/c1-12-6-7-14(18)10-15(12)17(21)20-9-3-5-16(20)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3
InChIKeyHALRWFLNEOPAFH-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.13
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 65311628) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID65311628
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H17BrN2O/c1-12-6-7-14(18)10-15(12)17(21)20-9-3-5-16(20)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3
InChIKeyHALRWFLNEOPAFH-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 131934792
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 65311628) is (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCCC1c1cccnc1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is HALRWFLNEOPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-6-7-14(18)10-15(12)17(21)20-9-3-5-16(20)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 345.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65311628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).