5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C9H5F5N2 — CID 134685708

IUPAC5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1c(C#N)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F5N2/c1-4-5(2-15)3-16-7(9(12,13)14)6(4)8(10)11/h3,8H,1H3
InChIKeyNOTQPOQTGGXVQI-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.22
Rot. Bonds1

About 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 134685708) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID134685708
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1c(C#N)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F5N2/c1-4-5(2-15)3-16-7(9(12,13)14)6(4)8(10)11/h3,8H,1H3
InChIKeyNOTQPOQTGGXVQI-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-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 82655671
3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 134685708) is 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1c(C#N)cnc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NOTQPOQTGGXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c1-4-5(2-15)3-16-7(9(12,13)14)6(4)8(10)11/h3,8H,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-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 5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134685708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).