3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine

C13H9BrClN3 — CID 84605259

IUPAC3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cl)cc1-n1nc(Br)c2cccnc21
InChIInChI=1S/C13H9BrClN3/c1-8-4-5-9(15)7-11(8)18-13-10(12(14)17-18)3-2-6-16-13/h2-7H,1H3
InChIKeyPDAAUKNECMLMFT-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.14
Rot. Bonds1

About 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine

3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine (PubChem CID 84605259) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine
PubChem CID84605259
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cl)cc1-n1nc(Br)c2cccnc21
InChIInChI=1S/C13H9BrClN3/c1-8-4-5-9(15)7-11(8)18-13-10(12(14)17-18)3-2-6-16-13/h2-7H,1H3
InChIKeyPDAAUKNECMLMFT-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(3-chloro-4-methylphenyl)pyrazolo[5,4-b]pyridine
CID 84605261
3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 84607425
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
10-(5-chloro-2-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
CID 940599
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
1-(5-chloro-2-methylphenyl)-4-(2,4-dichlorophenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540874
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine (CID 84605259) is 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine is Cc1ccc(Cl)cc1-n1nc(Br)c2cccnc21.
What is the InChIKey of 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine?
The InChIKey is PDAAUKNECMLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-4-5-9(15)7-11(8)18-13-10(12(14)17-18)3-2-6-16-13/h2-7H,1H3.
What are the key properties of 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine?
3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine has a molecular weight of 322.59 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 84605259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).