5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

C9H4F3N3 — CID 166912974

IUPAC5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)cc1C(F)(F)F
InChIInChI=1S/C9H4F3N3/c10-9(11,12)8-3-7(4-14)15-5-6(8)1-2-13/h3,5H,1H2
InChIKeyRRESQSWWNYEJIQ-UHFFFAOYSA-N
MW211.15 g/mol
LogP2.04
Rot. Bonds1

About 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 166912974) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID166912974
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)cc1C(F)(F)F
InChIInChI=1S/C9H4F3N3/c10-9(11,12)8-3-7(4-14)15-5-6(8)1-2-13/h3,5H,1H2
InChIKeyRRESQSWWNYEJIQ-UHFFFAOYSA-N
XLogP2.04
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119024029
methyl 2-[6-cyano-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097360
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704330
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
4-(cyanomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 162523439
[6-cyano-4-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882838
5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
CID 169121666
5-(cyanomethyl)-2-hydroxy-4-(trifluoromethyl)benzonitrile
CID 171020128
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
2-[4,5-bis(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095159
3-(cyanomethyl)-4-(trifluoromethyl)benzonitrile
CID 162523451
2-[6-[2-(3-methoxypropyl)phenyl]-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 67446419

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 166912974) is 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is N#CCc1cnc(C#N)cc1C(F)(F)F.
What is the InChIKey of 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is RRESQSWWNYEJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c10-9(11,12)8-3-7(4-14)15-5-6(8)1-2-13/h3,5H,1H2.
What are the key properties of 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 211.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 166912974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).