3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile

C9H8F2N2 — CID 130101091

IUPAC3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(C(F)F)c1C
InChIInChI=1S/C9H8F2N2/c1-5-4-13-7(3-12)8(6(5)2)9(10)11/h4,9H,1-2H3
InChIKeyISALJVUALAHMDH-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.51
Rot. Bonds1

About 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile

3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile (PubChem CID 130101091) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
PubChem CID130101091
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(C(F)F)c1C
InChIInChI=1S/C9H8F2N2/c1-5-4-13-7(3-12)8(6(5)2)9(10)11/h4,9H,1-2H3
InChIKeyISALJVUALAHMDH-UHFFFAOYSA-N
XLogP2.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile (CID 130101091) is 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile is Cc1cnc(C#N)c(C(F)F)c1C.
What is the InChIKey of 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile?
The InChIKey is ISALJVUALAHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-5-4-13-7(3-12)8(6(5)2)9(10)11/h4,9H,1-2H3.
What are the key properties of 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile?
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile has a molecular weight of 182.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile is sourced from PubChem (CID 130101091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).