5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H4F5N3 — CID 133106427

IUPAC5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cc(C#N)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)7-6(4-17)3-5(1-2-16)8(18-7)10(13,14)15/h3,9H,1H2
InChIKeyOBPXSFUCVWWTGI-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.98
Rot. Bonds2

About 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133106427) has the molecular formula C10H4F5N3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133106427
Molecular FormulaC10H4F5N3
Molecular Weight261.15 g/mol
Exact Mass261.03
IUPAC Name5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cc(C#N)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)7-6(4-17)3-5(1-2-16)8(18-7)10(13,14)15/h3,9H,1H2
InChIKeyOBPXSFUCVWWTGI-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

6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
4-(cyanomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 162523439
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133106427) is 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#CCc1cc(C#N)c(C(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OBPXSFUCVWWTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3/c11-9(12)7-6(4-17)3-5(1-2-16)8(18-7)10(13,14)15/h3,9H,1H2.
What are the key properties of 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-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 5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133106427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).