2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde

C13H10FNO — CID 121367745

IUPAC2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
SMILESCc1ccc(-c2ccncc2F)c(C=O)c1
InChIInChI=1S/C13H10FNO/c1-9-2-3-11(10(6-9)8-16)12-4-5-15-7-13(12)14/h2-8H,1H3
InChIKeyOLDORCDGBOQMDN-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.01
Rot. Bonds2

About 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde

2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde (PubChem CID 121367745) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
PubChem CID121367745
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
SMILESCc1ccc(-c2ccncc2F)c(C=O)c1
InChIInChI=1S/C13H10FNO/c1-9-2-3-11(10(6-9)8-16)12-4-5-15-7-13(12)14/h2-8H,1H3
InChIKeyOLDORCDGBOQMDN-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 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde (CID 121367745) is 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde is Cc1ccc(-c2ccncc2F)c(C=O)c1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde?
The InChIKey is OLDORCDGBOQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-2-3-11(10(6-9)8-16)12-4-5-15-7-13(12)14/h2-8H,1H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde?
2-(3-fluoro-4-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 2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde is sourced from PubChem (CID 121367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).