2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

C17H15N3O3 — CID 86268884

IUPAC2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-3-4-11(8-14(10)21)16-15(19-9-20(16)2)13-7-12(17(22)23)5-6-18-13/h3-9,21H,1-2H3,(H,22,23)
InChIKeyKHSDTLGQWSEUAQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86268884) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86268884
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-3-4-11(8-14(10)21)16-15(19-9-20(16)2)13-7-12(17(22)23)5-6-18-13/h3-9,21H,1-2H3,(H,22,23)
InChIKeyKHSDTLGQWSEUAQ-UHFFFAOYSA-N
XLogP2.86
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 86268884) is 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1O.
What is the InChIKey of 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is KHSDTLGQWSEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-3-4-11(8-14(10)21)16-15(19-9-20(16)2)13-7-12(17(22)23)5-6-18-13/h3-9,21H,1-2H3,(H,22,23).
What are the key properties of 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxy-4-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86268884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).