6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid

C16H13N3O2 — CID 62770301

IUPAC6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-14(16(20)21)15(18-11)19-10-13(9-17-19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyJYYSSIMIGKRUHA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

About 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid

6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 62770301) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID62770301
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-14(16(20)21)15(18-11)19-10-13(9-17-19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyJYYSSIMIGKRUHA-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 62770301) is 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is JYYSSIMIGKRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-7-8-14(16(20)21)15(18-11)19-10-13(9-17-19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21).
What are the key properties of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid?
6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62770301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).