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

C14H10BrClN2 — CID 158100103

IUPAC3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
SMILESN#CC(Cc1cncc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN2/c15-12-6-10(8-18-9-12)5-11(7-17)13-3-1-2-4-14(13)16/h1-4,6,8-9,11H,5H2
InChIKeyFPDPJMUHZACREJ-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.35
Rot. Bonds3

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

3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile (PubChem CID 158100103) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
PubChem CID158100103
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
SMILESN#CC(Cc1cncc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN2/c15-12-6-10(8-18-9-12)5-11(7-17)13-3-1-2-4-14(13)16/h1-4,6,8-9,11H,5H2
InChIKeyFPDPJMUHZACREJ-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-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
CID 153089826
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
CID 82088876
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140040
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
2-(5-bromo-3-pyridinyl)-2-(2-chloroanilino)acetonitrile
CID 113469407
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82139412
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile (CID 158100103) is 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile is N#CC(Cc1cncc(Br)c1)c1ccccc1Cl.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile?
The InChIKey is FPDPJMUHZACREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-12-6-10(8-18-9-12)5-11(7-17)13-3-1-2-4-14(13)16/h1-4,6,8-9,11H,5H2.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile?
3-(5-bromo-3-pyridinyl)-2-(2-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-(2-chlorophenyl)propanenitrile is sourced from PubChem (CID 158100103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).