5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde

C13H9ClFNO2 — CID 114270434

IUPAC5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1nccc(-c2ccc(Cl)cc2C=O)c1F
InChIInChI=1S/C13H9ClFNO2/c1-18-13-12(15)11(4-5-16-13)10-3-2-9(14)6-8(10)7-17/h2-7H,1H3
InChIKeyWYQPAZHVRCXROL-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde

5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde (PubChem CID 114270434) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
PubChem CID114270434
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1nccc(-c2ccc(Cl)cc2C=O)c1F
InChIInChI=1S/C13H9ClFNO2/c1-18-13-12(15)11(4-5-16-13)10-3-2-9(14)6-8(10)7-17/h2-7H,1H3
InChIKeyWYQPAZHVRCXROL-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
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 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The IUPAC name of 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde (CID 114270434) is 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde is COc1nccc(-c2ccc(Cl)cc2C=O)c1F.
What is the InChIKey of 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The InChIKey is WYQPAZHVRCXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-18-13-12(15)11(4-5-16-13)10-3-2-9(14)6-8(10)7-17/h2-7H,1H3.
What are the key properties of 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde has a molecular weight of 265.67 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 114270434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).