4-indazol-1-yl-3-methylbenzoic acid

C15H12N2O2 — CID 62120447

IUPAC4-indazol-1-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1ncc2ccccc21
InChIInChI=1S/C15H12N2O2/c1-10-8-11(15(18)19)6-7-13(10)17-14-5-3-2-4-12(14)9-16-17/h2-9H,1H3,(H,18,19)
InChIKeyBURLYFDQRZTBGI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds2

About 4-indazol-1-yl-3-methylbenzoic acid

4-indazol-1-yl-3-methylbenzoic acid (PubChem CID 62120447) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-indazol-1-yl-3-methylbenzoic acid.

Molecular Properties

Compound Name4-indazol-1-yl-3-methylbenzoic acid
PubChem CID62120447
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-indazol-1-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1ncc2ccccc21
InChIInChI=1S/C15H12N2O2/c1-10-8-11(15(18)19)6-7-13(10)17-14-5-3-2-4-12(14)9-16-17/h2-9H,1H3,(H,18,19)
InChIKeyBURLYFDQRZTBGI-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-indazol-1-ylbenzoic acid
CID 82514554
6-indazol-1-yl-5-methylpyridine-3-carboxylic acid
CID 80631041
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 91601147
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
5-amino-6-indazol-1-ylpyridine-3-carboxylic acid
CID 81439613
2-chloro-5-indazol-1-ylbenzoic acid
CID 82514553
2-indazol-1-yl-4-methylpyrimidine-5-carboxylic acid
CID 83182002
3-(5-iodoindazol-1-yl)benzoic acid
CID 57432097
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
2-(3-indazol-1-ylphenyl)acetic acid
CID 82513907

Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-3-methylbenzoic acid?
The IUPAC name of 4-indazol-1-yl-3-methylbenzoic acid (CID 62120447) is 4-indazol-1-yl-3-methylbenzoic acid.
What is the SMILES notation for 4-indazol-1-yl-3-methylbenzoic acid?
The canonical SMILES for 4-indazol-1-yl-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-n1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-yl-3-methylbenzoic acid?
The InChIKey is BURLYFDQRZTBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-8-11(15(18)19)6-7-13(10)17-14-5-3-2-4-12(14)9-16-17/h2-9H,1H3,(H,18,19).
What are the key properties of 4-indazol-1-yl-3-methylbenzoic acid?
4-indazol-1-yl-3-methylbenzoic acid has a molecular weight of 252.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-3-methylbenzoic acid is sourced from PubChem (CID 62120447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).