4-methyl-1H-indazole-3-carboxylic acid;hydrochloride

C9H9ClN2O2 — CID 67853661

IUPAC4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
SMILESCc1cccc2[nH]nc(C(=O)O)c12.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-5-3-2-4-6-7(5)8(9(12)13)11-10-6;/h2-4H,1H3,(H,10,11)(H,12,13);1H
InChIKeyZTSWTYYVAUNQDU-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.99
Rot. Bonds1

About 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride

4-methyl-1H-indazole-3-carboxylic acid;hydrochloride (PubChem CID 67853661) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
PubChem CID67853661
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
SMILESCc1cccc2[nH]nc(C(=O)O)c12.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-5-3-2-4-6-7(5)8(9(12)13)11-10-6;/h2-4H,1H3,(H,10,11)(H,12,13);1H
InChIKeyZTSWTYYVAUNQDU-UHFFFAOYSA-N
XLogP1.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride (CID 67853661) is 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride is Cc1cccc2[nH]nc(C(=O)O)c12.Cl.
What is the InChIKey of 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride?
The InChIKey is ZTSWTYYVAUNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.ClH/c1-5-3-2-4-6-7(5)8(9(12)13)11-10-6;/h2-4H,1H3,(H,10,11)(H,12,13);1H.
What are the key properties of 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride?
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride has a molecular weight of 212.64 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-indazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67853661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).