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

C10H10N2O2 — CID 3237757

IUPAC2-(3-methylindazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-7-8-4-2-3-5-9(8)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLFDOOTGCEZRKSA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.43
Rot. Bonds2

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

2-(3-methylindazol-1-yl)acetic acid (PubChem CID 3237757) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)acetic acid
PubChem CID3237757
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(3-methylindazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-7-8-4-2-3-5-9(8)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLFDOOTGCEZRKSA-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)acetic acid?
The IUPAC name of 2-(3-methylindazol-1-yl)acetic acid (CID 3237757) is 2-(3-methylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-methylindazol-1-yl)acetic acid is Cc1nn(CC(=O)O)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)acetic acid?
The InChIKey is LFDOOTGCEZRKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-8-4-2-3-5-9(8)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-methylindazol-1-yl)acetic acid?
2-(3-methylindazol-1-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)acetic acid is sourced from PubChem (CID 3237757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).