5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde

C13H9F2NO2 — CID 172868912

IUPAC5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
SMILESCOc1cccc(-c2cc(C=O)c(F)cn2)c1F
InChIInChI=1S/C13H9F2NO2/c1-18-12-4-2-3-9(13(12)15)11-5-8(7-17)10(14)6-16-11/h2-7H,1H3
InChIKeyWGUJPIZTKOUTFG-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.85
Rot. Bonds3

About 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde

5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde (PubChem CID 172868912) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
PubChem CID172868912
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
SMILESCOc1cccc(-c2cc(C=O)c(F)cn2)c1F
InChIInChI=1S/C13H9F2NO2/c1-18-12-4-2-3-9(13(12)15)11-5-8(7-17)10(14)6-16-11/h2-7H,1H3
InChIKeyWGUJPIZTKOUTFG-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.85
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-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 172868911
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089617
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde (CID 172868912) is 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde is COc1cccc(-c2cc(C=O)c(F)cn2)c1F.
What is the InChIKey of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde?
The InChIKey is WGUJPIZTKOUTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-18-12-4-2-3-9(13(12)15)11-5-8(7-17)10(14)6-16-11/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde?
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde has a molecular weight of 249.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 172868912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).