4-(5-methyl-1H-indazol-3-yl)benzoic acid

C15H12N2O2 — CID 155410650

IUPAC4-(5-methyl-1H-indazol-3-yl)benzoic acid
SMILESCc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeySLEUHKWQBRMQOG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 4-(5-methyl-1H-indazol-3-yl)benzoic acid

4-(5-methyl-1H-indazol-3-yl)benzoic acid (PubChem CID 155410650) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(5-methyl-1H-indazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-1H-indazol-3-yl)benzoic acid
PubChem CID155410650
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(5-methyl-1H-indazol-3-yl)benzoic acid
SMILESCc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeySLEUHKWQBRMQOG-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-indazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-1H-indazol-3-yl)benzoic acid (CID 155410650) is 4-(5-methyl-1H-indazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-1H-indazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-1H-indazol-3-yl)benzoic acid is Cc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1.
What is the InChIKey of 4-(5-methyl-1H-indazol-3-yl)benzoic acid?
The InChIKey is SLEUHKWQBRMQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(5-methyl-1H-indazol-3-yl)benzoic acid?
4-(5-methyl-1H-indazol-3-yl)benzoic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-indazol-3-yl)benzoic acid is sourced from PubChem (CID 155410650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).