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

C9H3F5N2O — CID 133106404

IUPAC2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(C=O)nc1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)7-4(2-15)1-5(9(12,13)14)6(3-17)16-7/h1,3,8H
InChIKeyXBEIACMWTTYKKY-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.72
Rot. Bonds2

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

2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133106404) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133106404
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(C=O)nc1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)7-4(2-15)1-5(9(12,13)14)6(3-17)16-7/h1,3,8H
InChIKeyXBEIACMWTTYKKY-UHFFFAOYSA-N
XLogP2.72
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 133106404) is 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)(F)F)c(C=O)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XBEIACMWTTYKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-8(11)7-4(2-15)1-5(9(12,13)14)6(3-17)16-7/h1,3,8H.
What are the key properties of 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile?
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 250.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133106404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).