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

C8H2F6N2 — CID 134674727

IUPAC3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C8H2F6N2/c9-6-3(8(12,13)14)2-16-4(1-15)5(6)7(10)11/h2,7H
InChIKeyAUMPQAUUZGYSEU-UHFFFAOYSA-N
MW240.11 g/mol
LogP3.05
Rot. Bonds1

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

3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 134674727) has the molecular formula C8H2F6N2 and a molecular weight of 240.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID134674727
Molecular FormulaC8H2F6N2
Molecular Weight240.11 g/mol
Exact Mass240.01
IUPAC Name3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C8H2F6N2/c9-6-3(8(12,13)14)2-16-4(1-15)5(6)7(10)11/h2,7H
InChIKeyAUMPQAUUZGYSEU-UHFFFAOYSA-N
XLogP3.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
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-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 134674727) is 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is AUMPQAUUZGYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2/c9-6-3(8(12,13)14)2-16-4(1-15)5(6)7(10)11/h2,7H.
What are the key properties of 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 240.11 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).