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

C12H6BrClFN3 — CID 84607425

IUPAC3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-n2nc(Br)c3cccnc32)cc1Cl
InChIInChI=1S/C12H6BrClFN3/c13-11-8-2-1-5-16-12(8)18(17-11)7-3-4-10(15)9(14)6-7/h1-6H
InChIKeySZXLRTJGPIUFHY-UHFFFAOYSA-N
MW326.56 g/mol
LogP3.98
Rot. Bonds1

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

3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine (PubChem CID 84607425) has the molecular formula C12H6BrClFN3 and a molecular weight of 326.56 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine
PubChem CID84607425
Molecular FormulaC12H6BrClFN3
Molecular Weight326.56 g/mol
Exact Mass324.94
IUPAC Name3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-n2nc(Br)c3cccnc32)cc1Cl
InChIInChI=1S/C12H6BrClFN3/c13-11-8-2-1-5-16-12(8)18(17-11)7-3-4-10(15)9(14)6-7/h1-6H
InChIKeySZXLRTJGPIUFHY-UHFFFAOYSA-N
XLogP3.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 53.98
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-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine
CID 84605259
3-(4-chlorophenyl)-1-(3-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 139754198
1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine
CID 162402105
1-(3-chloro-4-fluorophenyl)imidazole-4-carbonitrile
CID 99990368
8-chloro-5-fluoroquinoline
CID 53435993
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
CID 169173168
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 901921
3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 725181
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine (CID 84607425) is 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine is Fc1ccc(-n2nc(Br)c3cccnc32)cc1Cl.
What is the InChIKey of 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The InChIKey is SZXLRTJGPIUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3/c13-11-8-2-1-5-16-12(8)18(17-11)7-3-4-10(15)9(14)6-7/h1-6H.
What are the key properties of 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine?
3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine has a molecular weight of 326.56 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 84607425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).