2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile

C9H7F3N2O — CID 133105690

IUPAC2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(CC#N)c(C(F)F)c1F
InChIInChI=1S/C9H7F3N2O/c1-15-9-7(10)6(8(11)12)5(2-3-13)4-14-9/h4,8H,2H2,1H3
InChIKeyOAEDKOXPDFRLRE-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.23
Rot. Bonds3

About 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile (PubChem CID 133105690) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
PubChem CID133105690
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(CC#N)c(C(F)F)c1F
InChIInChI=1S/C9H7F3N2O/c1-15-9-7(10)6(8(11)12)5(2-3-13)4-14-9/h4,8H,2H2,1H3
InChIKeyOAEDKOXPDFRLRE-UHFFFAOYSA-N
XLogP2.23
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(difluoromethyl)-5-fluoro-6-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-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
CID 130076452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile (CID 133105690) is 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile is COc1ncc(CC#N)c(C(F)F)c1F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is OAEDKOXPDFRLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-15-9-7(10)6(8(11)12)5(2-3-13)4-14-9/h4,8H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile has a molecular weight of 216.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133105690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).