3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile

C9H5F5N2 — CID 119004811

IUPAC3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F5N2/c1-4-3-16-5(2-15)6(8(10)11)7(4)9(12,13)14/h3,8H,1H3
InChIKeyVDRLRQYZYYBHBG-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.22
Rot. Bonds1

About 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile

3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 119004811) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID119004811
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCc1cnc(C#N)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F5N2/c1-4-3-16-5(2-15)6(8(10)11)7(4)9(12,13)14/h3,8H,1H3
InChIKeyVDRLRQYZYYBHBG-UHFFFAOYSA-N
XLogP3.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 119004811) is 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile is Cc1cnc(C#N)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is VDRLRQYZYYBHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c1-4-3-16-5(2-15)6(8(10)11)7(4)9(12,13)14/h3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 236.14 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 119004811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).