(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

C17H17BrN2O — CID 61062384

IUPAC(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-12-5-2-3-6-15(12)16-7-4-8-20(16)17(21)13-9-14(18)11-19-10-13/h2-3,5-6,9-11,16H,4,7-8H2,1H3
InChIKeyGDWMMYXGIUXGBJ-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.13
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 61062384) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID61062384
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-12-5-2-3-6-15(12)16-7-4-8-20(16)17(21)13-9-14(18)11-19-10-13/h2-3,5-6,9-11,16H,4,7-8H2,1H3
InChIKeyGDWMMYXGIUXGBJ-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

(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
(4,5-dibromothiophen-2-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 80534413
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 97187488
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 61062384) is (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CCCN1C(=O)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GDWMMYXGIUXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-5-2-3-6-15(12)16-7-4-8-20(16)17(21)13-9-14(18)11-19-10-13/h2-3,5-6,9-11,16H,4,7-8H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-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-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 61062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).