2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C15H11N3O3 — CID 76901620

IUPAC2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1
InChIInChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21)
InChIKeyQVSDPEWGBYKEDU-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901620) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901620
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1
InChIInChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21)
InChIKeyQVSDPEWGBYKEDU-UHFFFAOYSA-N
XLogP2.34
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901620) is 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1.
What is the InChIKey of 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QVSDPEWGBYKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-12-3-1-2-10(8-12)13-5-7-17-18(13)14-9-11(15(20)21)4-6-16-14/h1-9,19H,(H,20,21).
What are the key properties of 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).