2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile

C8H5ClF2N2O — CID 118845077

IUPAC2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(Cl)c1O
InChIInChI=1S/C8H5ClF2N2O/c9-4-3-6(8(10)11)13-5(1-2-12)7(4)14/h3,8,14H,1H2
InChIKeyGMTZFLMKJCLGDC-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.44
Rot. Bonds2

About 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile

2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (PubChem CID 118845077) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
PubChem CID118845077
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(Cl)c1O
InChIInChI=1S/C8H5ClF2N2O/c9-4-3-6(8(10)11)13-5(1-2-12)7(4)14/h3,8,14H,1H2
InChIKeyGMTZFLMKJCLGDC-UHFFFAOYSA-N
XLogP2.44
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-6-(difluoromethyl)-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

4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070560
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (CID 118845077) is 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)cc(Cl)c1O.
What is the InChIKey of 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The InChIKey is GMTZFLMKJCLGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-4-3-6(8(10)11)13-5(1-2-12)7(4)14/h3,8,14H,1H2.
What are the key properties of 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118845077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).