6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one

C8H8ClN3O — CID 137218174

IUPAC6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C8H8ClN3O/c1-4-7-5(13)3-6(9)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKeyMYQAKDJIPSBOJQ-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.22
Rot. Bonds

About 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one

6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137218174) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137218174
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C8H8ClN3O/c1-4-7-5(13)3-6(9)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKeyMYQAKDJIPSBOJQ-UHFFFAOYSA-N
XLogP1.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135424139
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135772535
1,3-dimethyl-4-oxo-1H,4H,7H-pyrazolo(3,4-b)pyridine-6-carboxylic acid
CID 136218345
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)ethanone
CID 11116254
1-[5-Amino-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 59957244
1-[5-(4,4-Dimethylpyridin-1-yl)-1,3-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 122484638
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone
CID 21588872
5-amino-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136303222
1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136314440
1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135493837
1-[1,3-Dimethyl-5-(methylamino)pyrazol-4-yl]ethanone
CID 20703770
1-(3-Isocyano-1,5-dimethylpyrazol-4-yl)ethanone
CID 54491707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137218174) is 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C)c2[nH]c(Cl)cc(=O)c12.
What is the InChIKey of 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is MYQAKDJIPSBOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-4-7-5(13)3-6(9)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13).
What are the key properties of 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 197.62 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137218174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).