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

C7H5BrN2O — CID 130748855

IUPAC2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Br)c1O
InChIInChI=1S/C7H5BrN2O/c8-5-2-4-10-6(1-3-9)7(5)11/h2,4,11H,1H2
InChIKeyGIQVRKFADHBHMO-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.62
Rot. Bonds1

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

2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile (PubChem CID 130748855) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
PubChem CID130748855
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Br)c1O
InChIInChI=1S/C7H5BrN2O/c8-5-2-4-10-6(1-3-9)7(5)11/h2,4,11H,1H2
InChIKeyGIQVRKFADHBHMO-UHFFFAOYSA-N
XLogP1.62
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
CID 130893900
2,4-dibromopyridin-3-ol
CID 14595215
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
CID 131050925
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
CID 131070766
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
2-(3-methylsulfanyl-2-pyridinyl)acetonitrile
CID 14273134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile (CID 130748855) is 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile is N#CCc1nccc(Br)c1O.
What is the InChIKey of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?
The InChIKey is GIQVRKFADHBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-5-2-4-10-6(1-3-9)7(5)11/h2,4,11H,1H2.
What are the key properties of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?
2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 130748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).