4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid

C12H8FNO3 — CID 135741529

IUPAC4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H8FNO3/c13-10-5-7(1-2-11(10)15)8-3-4-14-6-9(8)12(16)17/h1-6,15H,(H,16,17)
InChIKeyRPISNJINJSQTNX-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.29
Rot. Bonds2

About 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid

4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid (PubChem CID 135741529) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
PubChem CID135741529
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H8FNO3/c13-10-5-7(1-2-11(10)15)8-3-4-14-6-9(8)12(16)17/h1-6,15H,(H,16,17)
InChIKeyRPISNJINJSQTNX-UHFFFAOYSA-N
XLogP2.29
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid (CID 135741529) is 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1-c1ccc(O)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is RPISNJINJSQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-10-5-7(1-2-11(10)15)8-3-4-14-6-9(8)12(16)17/h1-6,15H,(H,16,17).
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid?
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 135741529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).