6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde

C14H12FNO2 — CID 142236096

IUPAC6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde
SMILESCCc1ccc(-c2cc(F)c(O)c(C=O)n2)cc1
InChIInChI=1S/C14H12FNO2/c1-2-9-3-5-10(6-4-9)12-7-11(15)14(18)13(8-17)16-12/h3-8,18H,2H2,1H3
InChIKeyZGAGNCJUJDMXHF-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.97
Rot. Bonds3

About 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde

6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde (PubChem CID 142236096) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde
PubChem CID142236096
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde
SMILESCCc1ccc(-c2cc(F)c(O)c(C=O)n2)cc1
InChIInChI=1S/C14H12FNO2/c1-2-9-3-5-10(6-4-9)12-7-11(15)14(18)13(8-17)16-12/h3-8,18H,2H2,1H3
InChIKeyZGAGNCJUJDMXHF-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde (CID 142236096) is 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde is CCc1ccc(-c2cc(F)c(O)c(C=O)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde?
The InChIKey is ZGAGNCJUJDMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-2-9-3-5-10(6-4-9)12-7-11(15)14(18)13(8-17)16-12/h3-8,18H,2H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde?
6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde has a molecular weight of 245.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-4-fluoro-3-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 142236096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).