5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile

C10H3F6N3 — CID 169121666

IUPAC5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1c(C(F)(F)F)cc(C#N)nc1C(F)(F)F
InChIInChI=1S/C10H3F6N3/c11-9(12,13)7-3-5(4-18)19-8(10(14,15)16)6(7)1-2-17/h3H,1H2
InChIKeyWIJNOYZJWPVKFJ-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.06
Rot. Bonds1

About 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile

5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 169121666) has the molecular formula C10H3F6N3 and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID169121666
Molecular FormulaC10H3F6N3
Molecular Weight279.14 g/mol
Exact Mass279.02
IUPAC Name5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1c(C(F)(F)F)cc(C#N)nc1C(F)(F)F
InChIInChI=1S/C10H3F6N3/c11-9(12,13)7-3-5(4-18)19-8(10(14,15)16)6(7)1-2-17/h3H,1H2
InChIKeyWIJNOYZJWPVKFJ-UHFFFAOYSA-N
XLogP3.06
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
2-(cyanomethyl)-3,5-bis(trifluoromethyl)benzonitrile
CID 119002586
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
2-[4,5-bis(trifluoromethyl)pyrimidin-2-yl]acetonitrile
CID 162523531
3-(cyanomethyl)-2,4-difluoro-5-(trifluoromethyl)benzonitrile
CID 162523513
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714
2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134672895
4-(cyanomethyl)pyridine-2,6-dicarbonitrile
CID 166913297
2-(cyanomethyl)-3-methyl-4-(trifluoromethyl)benzonitrile
CID 170995858
2-[3-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131143629

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile (CID 169121666) is 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile is N#CCc1c(C(F)(F)F)cc(C#N)nc1C(F)(F)F.
What is the InChIKey of 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is WIJNOYZJWPVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F6N3/c11-9(12,13)7-3-5(4-18)19-8(10(14,15)16)6(7)1-2-17/h3H,1H2.
What are the key properties of 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile?
5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 279.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 169121666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).