1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid

C7H4ClN3O2 — CID 141410941

IUPAC1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2Cl)c1
InChIInChI=1S/C7H4ClN3O2/c8-11-6-4(3-10-11)1-5(2-9-6)7(12)13/h1-3H,(H,12,13)
InChIKeyPLWYUFGEQCMGDG-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.13
Rot. Bonds1

About 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid

1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 141410941) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID141410941
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2Cl)c1
InChIInChI=1S/C7H4ClN3O2/c8-11-6-4(3-10-11)1-5(2-9-6)7(12)13/h1-3H,(H,12,13)
InChIKeyPLWYUFGEQCMGDG-UHFFFAOYSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778913
1-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778930
1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 117275923
7-chloro-1-methylindazole-5-carboxylic acid
CID 83885208
6-chloroquinoline-3-carboxylic acid
CID 14241492
N-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220665
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
2-bromothieno[2,3-b]pyridine-5-carboxylic acid
CID 82665417
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691
3-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 55263882
7-(azetidin-1-yl)-1,6-naphthyridine-3-carboxylic acid
CID 142496402

Frequently Asked Questions

What is the IUPAC name of 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 141410941) is 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(cnn2Cl)c1.
What is the InChIKey of 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PLWYUFGEQCMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-11-6-4(3-10-11)1-5(2-9-6)7(12)13/h1-3H,(H,12,13).
What are the key properties of 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid?
1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 141410941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).