5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile

C8H5F3N2O — CID 119010675

IUPAC5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2O/c1-14-7-5(2-12)13-3-4(6(7)9)8(10)11/h3,8H,1H3
InChIKeyUDNPAEQRVDWOFM-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.04
Rot. Bonds2

About 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile

5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile (PubChem CID 119010675) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
PubChem CID119010675
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2O/c1-14-7-5(2-12)13-3-4(6(7)9)8(10)11/h3,8H,1H3
InChIKeyUDNPAEQRVDWOFM-UHFFFAOYSA-N
XLogP2.04
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile 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

5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile (CID 119010675) is 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile is COc1c(C#N)ncc(C(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile?
The InChIKey is UDNPAEQRVDWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-14-7-5(2-12)13-3-4(6(7)9)8(10)11/h3,8H,1H3.
What are the key properties of 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile?
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 119010675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).