3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid

C8H6ClN3O2 — CID 105465501

IUPAC3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESCn1nc(Cl)c2cc(C(=O)O)ncc21
InChIInChI=1S/C8H6ClN3O2/c1-12-6-3-10-5(8(13)14)2-4(6)7(9)11-12/h2-3H,1H3,(H,13,14)
InChIKeyZMDYZOKRMHXYPD-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.32
Rot. Bonds1

About 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid

3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 105465501) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
PubChem CID105465501
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESCn1nc(Cl)c2cc(C(=O)O)ncc21
InChIInChI=1S/C8H6ClN3O2/c1-12-6-3-10-5(8(13)14)2-4(6)7(9)11-12/h2-3H,1H3,(H,13,14)
InChIKeyZMDYZOKRMHXYPD-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 138040516
13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-4-carboxylic acid
CID 90227681
ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
CID 12529967
3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
CID 115023919
2-amino-3-(3-chloro-1-methylindazol-5-yl)propanoic acid
CID 117387142
5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid
CID 118408988
5-chloro-4-ethylpyridine-2-carboxylic acid
CID 82405973
5-tert-butyl-3-chloro-1-methylindazole
CID 169058983
6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 121206397
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
CID 11148327
1-methyl-2,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 84656375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid (CID 105465501) is 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid is Cn1nc(Cl)c2cc(C(=O)O)ncc21.
What is the InChIKey of 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The InChIKey is ZMDYZOKRMHXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-12-6-3-10-5(8(13)14)2-4(6)7(9)11-12/h2-3H,1H3,(H,13,14).
What are the key properties of 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 211.61 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 105465501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).