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

C8H4F5NO3 — CID 134659071

IUPAC5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO3/c9-7(10)3-1-14-4(2-15)5(16)6(3)17-8(11,12)13/h1-2,7,16H
InChIKeyNGDFTLXHQRWIBL-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.44
Rot. Bonds3

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

5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134659071) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134659071
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO3/c9-7(10)3-1-14-4(2-15)5(16)6(3)17-8(11,12)13/h1-2,7,16H
InChIKeyNGDFTLXHQRWIBL-UHFFFAOYSA-N
XLogP2.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-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

5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 131364675
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130112441
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330
5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134659071) is 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)F)c(OC(F)(F)F)c1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is NGDFTLXHQRWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-7(10)3-1-14-4(2-15)5(16)6(3)17-8(11,12)13/h1-2,7,16H.
What are the key properties of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 257.11 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134659071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).