2-(4-methoxy-3-methylindazol-1-yl)acetic acid

C11H12N2O3 — CID 84685422

IUPAC2-(4-methoxy-3-methylindazol-1-yl)acetic acid
SMILESCOc1cccc2c1c(C)nn2CC(=O)O
InChIInChI=1S/C11H12N2O3/c1-7-11-8(4-3-5-9(11)16-2)13(12-7)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJMDQOMFEVLVXQD-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.44
Rot. Bonds3

About 2-(4-methoxy-3-methylindazol-1-yl)acetic acid

2-(4-methoxy-3-methylindazol-1-yl)acetic acid (PubChem CID 84685422) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-methylindazol-1-yl)acetic acid
PubChem CID84685422
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(4-methoxy-3-methylindazol-1-yl)acetic acid
SMILESCOc1cccc2c1c(C)nn2CC(=O)O
InChIInChI=1S/C11H12N2O3/c1-7-11-8(4-3-5-9(11)16-2)13(12-7)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJMDQOMFEVLVXQD-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 82484377
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
CID 84675846
3-bromo-1-ethyl-4-methoxyindazole
CID 84729293
4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid
CID 2811432
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
CID 62129748
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 53056329

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylindazol-1-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-3-methylindazol-1-yl)acetic acid (CID 84685422) is 2-(4-methoxy-3-methylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-3-methylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-3-methylindazol-1-yl)acetic acid is COc1cccc2c1c(C)nn2CC(=O)O.
What is the InChIKey of 2-(4-methoxy-3-methylindazol-1-yl)acetic acid?
The InChIKey is JMDQOMFEVLVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-11-8(4-3-5-9(11)16-2)13(12-7)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxy-3-methylindazol-1-yl)acetic acid?
2-(4-methoxy-3-methylindazol-1-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylindazol-1-yl)acetic acid is sourced from PubChem (CID 84685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).