2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile

C9H6F2N2O — CID 130078361

IUPAC2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(C(F)F)c(C#N)c1C=O
InChIInChI=1S/C9H6F2N2O/c1-5-3-13-8(9(10)11)6(2-12)7(5)4-14/h3-4,9H,1H3
InChIKeyKDSXUGVIXNLQSC-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.01
Rot. Bonds2

About 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile

2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile (PubChem CID 130078361) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
PubChem CID130078361
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(C(F)F)c(C#N)c1C=O
InChIInChI=1S/C9H6F2N2O/c1-5-3-13-8(9(10)11)6(2-12)7(5)4-14/h3-4,9H,1H3
InChIKeyKDSXUGVIXNLQSC-UHFFFAOYSA-N
XLogP2.01
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-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

2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076837
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile (CID 130078361) is 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile is Cc1cnc(C(F)F)c(C#N)c1C=O.
What is the InChIKey of 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile?
The InChIKey is KDSXUGVIXNLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5-3-13-8(9(10)11)6(2-12)7(5)4-14/h3-4,9H,1H3.
What are the key properties of 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile?
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile has a molecular weight of 196.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130078361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).