5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine

C13H10ClN3O — CID 170685631

IUPAC5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ncc3c2)cc1Cl
InChIInChI=1S/C13H10ClN3O/c1-18-12-3-2-8(5-11(12)14)9-4-10-7-16-17-13(10)15-6-9/h2-7H,1H3,(H,15,16,17)
InChIKeyFTONNSCHACPXKO-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine

5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine (PubChem CID 170685631) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
PubChem CID170685631
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ncc3c2)cc1Cl
InChIInChI=1S/C13H10ClN3O/c1-18-12-3-2-8(5-11(12)14)9-4-10-7-16-17-13(10)15-6-9/h2-7H,1H3,(H,15,16,17)
InChIKeyFTONNSCHACPXKO-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine (CID 170685631) is 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2cnc3[nH]ncc3c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is FTONNSCHACPXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-12-3-2-8(5-11(12)14)9-4-10-7-16-17-13(10)15-6-9/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine?
5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170685631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).