4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile

C9H6F2N2O — CID 119002592

IUPAC4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
SMILESCc1cc(C(F)F)c(C=O)c(C#N)n1
InChIInChI=1S/C9H6F2N2O/c1-5-2-6(9(10)11)7(4-14)8(3-12)13-5/h2,4,9H,1H3
InChIKeyGQANQQQCENXPCH-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.01
Rot. Bonds2

About 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile

4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile (PubChem CID 119002592) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
PubChem CID119002592
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
SMILESCc1cc(C(F)F)c(C=O)c(C#N)n1
InChIInChI=1S/C9H6F2N2O/c1-5-2-6(9(10)11)7(4-14)8(3-12)13-5/h2,4,9H,1H3
InChIKeyGQANQQQCENXPCH-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'}

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Related Compounds

2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 118817088
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile (CID 119002592) is 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile is Cc1cc(C(F)F)c(C=O)c(C#N)n1.
What is the InChIKey of 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile?
The InChIKey is GQANQQQCENXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5-2-6(9(10)11)7(4-14)8(3-12)13-5/h2,4,9H,1H3.
What are the key properties of 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile?
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-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 4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 119002592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).