6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde

C17H15FN4O2 — CID 166556269

IUPAC6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde
SMILESCCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(C=O)n1
InChIInChI=1S/C17H15FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-10H,3H2,1-2H3
InChIKeyRKXAPVJWOHRWDN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.89
Rot. Bonds5

About 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde

6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde (PubChem CID 166556269) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde
PubChem CID166556269
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde
SMILESCCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(C=O)n1
InChIInChI=1S/C17H15FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-10H,3H2,1-2H3
InChIKeyRKXAPVJWOHRWDN-UHFFFAOYSA-N
XLogP2.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]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

1-[4-(Furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-phenylethanone
CID 176556149
4-(4-Fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine
CID 155813141
6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide
CID 58243764
4-[5-[2-(1,2,4-Triazol-1-yl)acetyl]-6-(trifluoromethyl)pyridin-2-yl]oxybenzaldehyde
CID 142410805
3-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carbaldehyde
CID 143921052
3-[3-[(2-Fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-1-one
CID 157090952
6-Ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxylic acid
CID 166556457
[6-Ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol
CID 166556923
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone
CID 167573468
1-[6-[1-[[2-Fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-2-pyridinyl]ethanone
CID 176188100
2-(2,3-dimethylphenoxy)-1-(pyridin-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 139068512
(4-Fluoro-3-methylphenyl)-[2-[4-(1-methoxyisoquinoline-3-carbonyl)-2,2-dimethylpiperazin-1-yl]-1,2,4-triazol-3-yl]methanone
CID 71603569

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde (CID 166556269) is 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde is CCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(C=O)n1.
What is the InChIKey of 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde?
The InChIKey is RKXAPVJWOHRWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde?
6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde has a molecular weight of 326.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 166556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).