4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde

C13H10FNO — CID 121367744

IUPAC4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccncc2C=O)c(F)c1
InChIInChI=1S/C13H10FNO/c1-9-2-3-12(13(14)6-9)11-4-5-15-7-10(11)8-16/h2-8H,1H3
InChIKeyJPVZKLSROVDQGK-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.01
Rot. Bonds2

About 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde

4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 121367744) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
PubChem CID121367744
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccncc2C=O)c(F)c1
InChIInChI=1S/C13H10FNO/c1-9-2-3-12(13(14)6-9)11-4-5-15-7-10(11)8-16/h2-8H,1H3
InChIKeyJPVZKLSROVDQGK-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde (CID 121367744) is 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ccncc2C=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is JPVZKLSROVDQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-2-3-12(13(14)6-9)11-4-5-15-7-10(11)8-16/h2-8H,1H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde has a molecular weight of 215.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 121367744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).