2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile

C9H8F2N2 — CID 130101068

IUPAC2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)nc1C
InChIInChI=1S/C9H8F2N2/c1-5-3-7(4-12)8(9(10)11)13-6(5)2/h3,9H,1-2H3
InChIKeyXIVSVZVLKCCQOL-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.51
Rot. Bonds1

About 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile

2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 130101068) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID130101068
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)nc1C
InChIInChI=1S/C9H8F2N2/c1-5-3-7(4-12)8(9(10)11)13-6(5)2/h3,9H,1-2H3
InChIKeyXIVSVZVLKCCQOL-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

6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile (CID 130101068) is 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(C(F)F)nc1C.
What is the InChIKey of 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XIVSVZVLKCCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-5-3-7(4-12)8(9(10)11)13-6(5)2/h3,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile?
2-(difluoromethyl)-5,6-dimethylpyridine-3-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 2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 130101068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).