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

C9H7ClF2N2O — CID 130073856

IUPAC2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1nc(Cl)cc(C(F)F)c1CC#N
InChIInChI=1S/C9H7ClF2N2O/c1-15-9-5(2-3-13)6(8(11)12)4-7(10)14-9/h4,8H,2H2,1H3
InChIKeyHHTITEWHGPAHDC-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.75
Rot. Bonds3

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

2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile (PubChem CID 130073856) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
PubChem CID130073856
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1nc(Cl)cc(C(F)F)c1CC#N
InChIInChI=1S/C9H7ClF2N2O/c1-15-9-5(2-3-13)6(8(11)12)4-7(10)14-9/h4,8H,2H2,1H3
InChIKeyHHTITEWHGPAHDC-UHFFFAOYSA-N
XLogP2.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-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-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile (CID 130073856) is 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile is COc1nc(Cl)cc(C(F)F)c1CC#N.
What is the InChIKey of 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is HHTITEWHGPAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c1-15-9-5(2-3-13)6(8(11)12)4-7(10)14-9/h4,8H,2H2,1H3.
What are the key properties of 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile has a molecular weight of 232.62 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130073856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).