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

C15H10FN3O2 — CID 76901616

IUPAC2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2cccc(F)c2)c1
InChIInChI=1S/C15H10FN3O2/c16-12-3-1-2-10(8-12)13-5-7-18-19(13)14-9-11(15(20)21)4-6-17-14/h1-9H,(H,20,21)
InChIKeyQKDWURZWFKZKLH-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.77
Rot. Bonds3

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

2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901616) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901616
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2cccc(F)c2)c1
InChIInChI=1S/C15H10FN3O2/c16-12-3-1-2-10(8-12)13-5-7-18-19(13)14-9-11(15(20)21)4-6-17-14/h1-9H,(H,20,21)
InChIKeyQKDWURZWFKZKLH-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901616) is 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2-c2cccc(F)c2)c1.
What is the InChIKey of 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QKDWURZWFKZKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-12-3-1-2-10(8-12)13-5-7-18-19(13)14-9-11(15(20)21)4-6-17-14/h1-9H,(H,20,21).
What are the key properties of 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).