3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde

C13H10FNO — CID 53485983

IUPAC3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(-c2ccc(F)nc2)c1
InChIInChI=1S/C13H10FNO/c1-9-4-10(8-16)6-12(5-9)11-2-3-13(14)15-7-11/h2-8H,1H3
InChIKeyMUAAIOAJDZTJRL-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.01
Rot. Bonds2

About 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde

3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde (PubChem CID 53485983) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde
PubChem CID53485983
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(-c2ccc(F)nc2)c1
InChIInChI=1S/C13H10FNO/c1-9-4-10(8-16)6-12(5-9)11-2-3-13(14)15-7-11/h2-8H,1H3
InChIKeyMUAAIOAJDZTJRL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde (CID 53485983) is 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde is Cc1cc(C=O)cc(-c2ccc(F)nc2)c1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde?
The InChIKey is MUAAIOAJDZTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-4-10(8-16)6-12(5-9)11-2-3-13(14)15-7-11/h2-8H,1H3.
What are the key properties of 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde?
3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde 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 3-(6-fluoro-3-pyridinyl)-5-methylbenzaldehyde is sourced from PubChem (CID 53485983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).