2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

C13H9ClN4O — CID 110472978

IUPAC2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)13(19)16-12-9-5-3-7-15-11(9)17-18-12/h1-7H,(H2,15,16,17,18,19)
InChIKeyVVYQJOBDXRDWSC-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (PubChem CID 110472978) has the molecular formula C13H9ClN4O and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
PubChem CID110472978
Molecular FormulaC13H9ClN4O
Molecular Weight272.69 g/mol
Exact Mass272.05
IUPAC Name2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1[nH]nc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)13(19)16-12-9-5-3-7-15-11(9)17-18-12/h1-7H,(H2,15,16,17,18,19)
InChIKeyVVYQJOBDXRDWSC-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5,7-dichloroquinolin-8-yl)benzamide
CID 122229021
4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084
3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472353
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110866777
3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 91667303
2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110470080
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 146637909
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (CID 110472978) is 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is O=C(Nc1[nH]nc2ncccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The InChIKey is VVYQJOBDXRDWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-6-2-1-4-8(10)13(19)16-12-9-5-3-7-15-11(9)17-18-12/h1-7H,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide has a molecular weight of 272.69 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 110472978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).