3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile

C14H10BrClN2 — CID 153089826

IUPAC3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
SMILESN#CC(Cc1cncc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClN2/c15-13-5-10(8-18-9-13)4-12(7-17)11-2-1-3-14(16)6-11/h1-3,5-6,8-9,12H,4H2
InChIKeyVOYBZWSQHVEYFR-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.35
Rot. Bonds3

About 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile

3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile (PubChem CID 153089826) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
PubChem CID153089826
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
SMILESN#CC(Cc1cncc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClN2/c15-13-5-10(8-18-9-13)4-12(7-17)11-2-1-3-14(16)6-11/h1-3,5-6,8-9,12H,4H2
InChIKeyVOYBZWSQHVEYFR-UHFFFAOYSA-N
XLogP4.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
CID 158100103
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141531
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile (CID 153089826) is 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile is N#CC(Cc1cncc(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile?
The InChIKey is VOYBZWSQHVEYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-13-5-10(8-18-9-13)4-12(7-17)11-2-1-3-14(16)6-11/h1-3,5-6,8-9,12H,4H2.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile?
3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile has a molecular weight of 321.61 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile is sourced from PubChem (CID 153089826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).