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

C9H3F5N2O — CID 118990957

IUPAC3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)4-1-5(9(12,13)14)7(3-17)16-6(4)2-15/h1,3,8H
InChIKeyPDOZOSCCTKTYRP-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.72
Rot. Bonds2

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

3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 118990957) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID118990957
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)4-1-5(9(12,13)14)7(3-17)16-6(4)2-15/h1,3,8H
InChIKeyPDOZOSCCTKTYRP-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

2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 118990957) is 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C=O)c(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is PDOZOSCCTKTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-8(11)4-1-5(9(12,13)14)7(3-17)16-6(4)2-15/h1,3,8H.
What are the key properties of 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-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 3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118990957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).