2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde

C9H6F5NO2 — CID 118831628

IUPAC2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1c(C=O)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H6F5NO2/c1-4-5(3-16)2-6(17-9(12,13)14)15-7(4)8(10)11/h2-3,8H,1H3
InChIKeyHACHFKZJBILBEP-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.04
Rot. Bonds3

About 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde

2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 118831628) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID118831628
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1c(C=O)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H6F5NO2/c1-4-5(3-16)2-6(17-9(12,13)14)15-7(4)8(10)11/h2-3,8H,1H3
InChIKeyHACHFKZJBILBEP-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.04
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)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118848960
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
2-amino-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119007498
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
CID 118837547
2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
4-bromo-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118845193

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 118831628) is 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde is Cc1c(C=O)cc(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is HACHFKZJBILBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-4-5(3-16)2-6(17-9(12,13)14)15-7(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 255.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 118831628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).