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

C9H6F5NO2 — CID 118823749

IUPAC4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1ncc(OC(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO2/c1-4-5(3-16)7(8(10)11)6(2-15-4)17-9(12,13)14/h2-3,8H,1H3
InChIKeyAASXUDXZGMBBSW-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.04
Rot. Bonds3

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

4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 118823749) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID118823749
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1ncc(OC(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO2/c1-4-5(3-16)7(8(10)11)6(2-15-4)17-9(12,13)14/h2-3,8H,1H3
InChIKeyAASXUDXZGMBBSW-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'}

Analyze 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
2-[3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665144
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 118823749) is 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde is Cc1ncc(OC(F)(F)F)c(C(F)F)c1C=O.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is AASXUDXZGMBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-4-5(3-16)7(8(10)11)6(2-15-4)17-9(12,13)14/h2-3,8H,1H3.
What are the key properties of 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-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 4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 118823749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).