(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C16H14BrFN2O — CID 60727625

IUPAC(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCC1c1ccncc1
InChIInChI=1S/C16H14BrFN2O/c17-14-4-3-12(18)10-13(14)16(21)20-9-1-2-15(20)11-5-7-19-8-6-11/h3-8,10,15H,1-2,9H2
InChIKeyHGIQDKHOCCVFSA-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.96
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 60727625) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID60727625
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCC1c1ccncc1
InChIInChI=1S/C16H14BrFN2O/c17-14-4-3-12(18)10-13(14)16(21)20-9-1-2-15(20)11-5-7-19-8-6-11/h3-8,10,15H,1-2,9H2
InChIKeyHGIQDKHOCCVFSA-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
CID 94336529

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 60727625) is (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cc(F)ccc1Br)N1CCCC1c1ccncc1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is HGIQDKHOCCVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-14-4-3-12(18)10-13(14)16(21)20-9-1-2-15(20)11-5-7-19-8-6-11/h3-8,10,15H,1-2,9H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 349.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60727625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).