4-chloro-3-methyl-2H-indazole-6-carboxylic acid

C9H7ClN2O2 — CID 117109537

IUPAC4-chloro-3-methyl-2H-indazole-6-carboxylic acid
SMILESCc1[nH]nc2cc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-4-8-6(10)2-5(9(13)14)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyVHCKVLIKJHYSHH-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-3-methyl-2H-indazole-6-carboxylic acid

4-chloro-3-methyl-2H-indazole-6-carboxylic acid (PubChem CID 117109537) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 4-chloro-3-methyl-2H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-methyl-2H-indazole-6-carboxylic acid
PubChem CID117109537
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name4-chloro-3-methyl-2H-indazole-6-carboxylic acid
SMILESCc1[nH]nc2cc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-4-8-6(10)2-5(9(13)14)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyVHCKVLIKJHYSHH-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 84717839
methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
CID 24728389
3,4-dibromo-2H-indazole-6-carboxylic acid
CID 24728404
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059
4-bromo-3-iodo-2H-indazole-6-carboxylic acid
CID 24728405
6-chloro-4-fluoro-3-methyl-2H-indazole
CID 89425145
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
sodium 3,4,5-trichlorobenzoic acid
CID 155920302
5-fluoro-3-methyl-2H-indazole-4-carboxylic acid
CID 117109516
4-chloro-8-methylnaphthalene-2,6-dicarboxylic acid
CID 139948377
7-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 70229243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2H-indazole-6-carboxylic acid?
The IUPAC name of 4-chloro-3-methyl-2H-indazole-6-carboxylic acid (CID 117109537) is 4-chloro-3-methyl-2H-indazole-6-carboxylic acid.
What is the SMILES notation for 4-chloro-3-methyl-2H-indazole-6-carboxylic acid?
The canonical SMILES for 4-chloro-3-methyl-2H-indazole-6-carboxylic acid is Cc1[nH]nc2cc(C(=O)O)cc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-2H-indazole-6-carboxylic acid?
The InChIKey is VHCKVLIKJHYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-4-8-6(10)2-5(9(13)14)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-chloro-3-methyl-2H-indazole-6-carboxylic acid?
4-chloro-3-methyl-2H-indazole-6-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2H-indazole-6-carboxylic acid is sourced from PubChem (CID 117109537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).