4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde

C9H6F5NO — CID 118846177

IUPAC4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCc1c(C=O)ncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5NO/c1-4-6(3-16)15-2-5(9(12,13)14)7(4)8(10)11/h2-3,8H,1H3
InChIKeyRSKZSSFBZJXDMV-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.16
Rot. Bonds2

About 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde

4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118846177) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118846177
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC Name4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCc1c(C=O)ncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5NO/c1-4-6(3-16)15-2-5(9(12,13)14)7(4)8(10)11/h2-3,8H,1H3
InChIKeyRSKZSSFBZJXDMV-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 130086106

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118846177) is 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde is Cc1c(C=O)ncc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is RSKZSSFBZJXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c1-4-6(3-16)15-2-5(9(12,13)14)7(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 239.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118846177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).