4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile

C8H2F3N3 — CID 121407411

IUPAC4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile
SMILESN#CCc1c(F)c(F)nc(C#N)c1F
InChIInChI=1S/C8H2F3N3/c9-6-4(1-2-12)7(10)8(11)14-5(6)3-13/h1H2
InChIKeyYDQUBLDWKDOELD-UHFFFAOYSA-N
MW197.12 g/mol
LogP1.44
Rot. Bonds1

About 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile

4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile (PubChem CID 121407411) has the molecular formula C8H2F3N3 and a molecular weight of 197.12 g/mol. Its IUPAC name is 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile
PubChem CID121407411
Molecular FormulaC8H2F3N3
Molecular Weight197.12 g/mol
Exact Mass197.02
IUPAC Name4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile
SMILESN#CCc1c(F)c(F)nc(C#N)c1F
InChIInChI=1S/C8H2F3N3/c9-6-4(1-2-12)7(10)8(11)14-5(6)3-13/h1H2
InChIKeyYDQUBLDWKDOELD-UHFFFAOYSA-N
XLogP1.44
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
CID 167515078
4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
CID 169121751
2-[4-(cyanomethyl)-2,3,5,6-tetrafluorophenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
CID 23269905
4,5,6-trichloro-3-fluoropyridine-2-carbonitrile
CID 21270488
2-(cyanomethyl)-3,4-difluorobenzonitrile
CID 130896726
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
3-(cyanomethyl)-2,4-difluoro-5-(trifluoromethyl)benzonitrile
CID 162523513
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)pyridine
CID 15063668
4-(cyanomethyl)-2,3,5,6-tetrakis(trifluoromethyl)benzonitrile
CID 174341924
2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
CID 84769845

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile?
The IUPAC name of 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile (CID 121407411) is 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile?
The canonical SMILES for 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile is N#CCc1c(F)c(F)nc(C#N)c1F.
What is the InChIKey of 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile?
The InChIKey is YDQUBLDWKDOELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F3N3/c9-6-4(1-2-12)7(10)8(11)14-5(6)3-13/h1H2.
What are the key properties of 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile?
4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile has a molecular weight of 197.12 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-3,5,6-trifluoropyridine-2-carbonitrile is sourced from PubChem (CID 121407411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).