3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid

C16H14N2O3 — CID 39218703

IUPAC3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C16H14N2O3/c1-9-3-6-14(21-2)12(7-9)15-11-5-4-10(16(19)20)8-13(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyBCEBYCSKYDNRJF-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.25
Rot. Bonds3

About 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid

3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid (PubChem CID 39218703) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
PubChem CID39218703
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C16H14N2O3/c1-9-3-6-14(21-2)12(7-9)15-11-5-4-10(16(19)20)8-13(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyBCEBYCSKYDNRJF-UHFFFAOYSA-N
XLogP3.25
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 39219209
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83850261
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
4-methoxy-3-(5-methyl-2-nitrophenyl)benzoic acid
CID 82039510
3-amino-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356044
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid (CID 39218703) is 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid is COc1ccc(C)cc1-c1n[nH]c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid?
The InChIKey is BCEBYCSKYDNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-3-6-14(21-2)12(7-9)15-11-5-4-10(16(19)20)8-13(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid?
3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39218703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).