2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile

C7H4BrClN2 — CID 130893900

IUPAC2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Br)c1Cl
InChIInChI=1S/C7H4BrClN2/c8-5-2-4-11-6(1-3-10)7(5)9/h2,4H,1H2
InChIKeyBHGDURQEMSJUHX-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile

2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile (PubChem CID 130893900) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
PubChem CID130893900
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Br)c1Cl
InChIInChI=1S/C7H4BrClN2/c8-5-2-4-11-6(1-3-10)7(5)9/h2,4H,1H2
InChIKeyBHGDURQEMSJUHX-UHFFFAOYSA-N
XLogP2.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
CID 130748855
2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
CID 131050925
2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
CID 84768646
2-(4-chloropyridazin-3-yl)acetonitrile
CID 54339606
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
CID 131070766
2-(3-amino-4-bromo-2-chlorophenyl)acetonitrile
CID 131321805
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile (CID 130893900) is 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile is N#CCc1nccc(Br)c1Cl.
What is the InChIKey of 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile?
The InChIKey is BHGDURQEMSJUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-5-2-4-11-6(1-3-10)7(5)9/h2,4H,1H2.
What are the key properties of 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile?
2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile has a molecular weight of 231.48 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 130893900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).