3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile

C10H4F5N3O — CID 119009167

IUPAC3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1c(C(F)F)cc(OC(F)(F)F)nc1C#N
InChIInChI=1S/C10H4F5N3O/c11-9(12)6-3-8(19-10(13,14)15)18-7(4-17)5(6)1-2-16/h3,9H,1H2
InChIKeyNPGXBVWVZKSCMK-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.86
Rot. Bonds3

About 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile

3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 119009167) has the molecular formula C10H4F5N3O and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID119009167
Molecular FormulaC10H4F5N3O
Molecular Weight277.15 g/mol
Exact Mass277.03
IUPAC Name3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1c(C(F)F)cc(OC(F)(F)F)nc1C#N
InChIInChI=1S/C10H4F5N3O/c11-9(12)6-3-8(19-10(13,14)15)18-7(4-17)5(6)1-2-16/h3,9H,1H2
InChIKeyNPGXBVWVZKSCMK-UHFFFAOYSA-N
XLogP2.86
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[2-bromo-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022396
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119014377
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670626
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103568

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 119009167) is 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#CCc1c(C(F)F)cc(OC(F)(F)F)nc1C#N.
What is the InChIKey of 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is NPGXBVWVZKSCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3O/c11-9(12)6-3-8(19-10(13,14)15)18-7(4-17)5(6)1-2-16/h3,9H,1H2.
What are the key properties of 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 277.15 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 119009167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).