3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde

C13H10FNO3 — CID 59599889

IUPAC3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)c(O)c(C=O)c2)cn1
InChIInChI=1S/C13H10FNO3/c1-18-12-3-2-8(6-15-12)9-4-10(7-16)13(17)11(14)5-9/h2-7,17H,1H3
InChIKeyOIWKSWFIEZSKTK-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.41
Rot. Bonds3

About 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde

3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde (PubChem CID 59599889) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde
PubChem CID59599889
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)c(O)c(C=O)c2)cn1
InChIInChI=1S/C13H10FNO3/c1-18-12-3-2-8(6-15-12)9-4-10(7-16)13(17)11(14)5-9/h2-7,17H,1H3
InChIKeyOIWKSWFIEZSKTK-UHFFFAOYSA-N
XLogP2.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde (CID 59599889) is 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde is COc1ccc(-c2cc(F)c(O)c(C=O)c2)cn1.
What is the InChIKey of 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde?
The InChIKey is OIWKSWFIEZSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-12-3-2-8(6-15-12)9-4-10(7-16)13(17)11(14)5-9/h2-7,17H,1H3.
What are the key properties of 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde?
3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde has a molecular weight of 247.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-(6-methoxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 59599889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).