4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

C10H4F5N3 — CID 133106941

IUPAC4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C#N)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)7-5(1-2-16)3-6(4-17)18-8(7)10(13,14)15/h3,9H,1H2
InChIKeyANSJLBJROURUPB-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.98
Rot. Bonds2

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

4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133106941) has the molecular formula C10H4F5N3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133106941
Molecular FormulaC10H4F5N3
Molecular Weight261.15 g/mol
Exact Mass261.03
IUPAC Name4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C#N)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)7-5(1-2-16)3-6(4-17)18-8(7)10(13,14)15/h3,9H,1H2
InChIKeyANSJLBJROURUPB-UHFFFAOYSA-N
XLogP2.98
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
CID 169121666
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133106205
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile
CID 130108881
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 133106941) is 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#CCc1cc(C#N)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is ANSJLBJROURUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3/c11-9(12)7-5(1-2-16)3-6(4-17)18-8(7)10(13,14)15/h3,9H,1H2.
What are the key properties of 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 261.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133106941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).