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

C15H10FN3O2 — CID 56987141

IUPAC3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-n1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)12-7-9-19(18-12)13-2-1-8-17-14(13)15(20)21/h1-9H,(H,20,21)
InChIKeyMAJQKJNFMBATBJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.77
Rot. Bonds3

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

3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid (PubChem CID 56987141) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid
PubChem CID56987141
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-n1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)12-7-9-19(18-12)13-2-1-8-17-14(13)15(20)21/h1-9H,(H,20,21)
InChIKeyMAJQKJNFMBATBJ-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 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid (CID 56987141) is 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1-n1ccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The InChIKey is MAJQKJNFMBATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)12-7-9-19(18-12)13-2-1-8-17-14(13)15(20)21/h1-9H,(H,20,21).
What are the key properties of 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-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 3-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 56987141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).