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

C12H7BrFN3 — CID 91568292

IUPAC5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-n2ncc3nc(Br)ccc32)cc1
InChIInChI=1S/C12H7BrFN3/c13-12-6-5-11-10(16-12)7-15-17(11)9-3-1-8(14)2-4-9/h1-7H
InChIKeyTYBLIARARCIUPN-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.32
Rot. Bonds1

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

5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine (PubChem CID 91568292) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine
PubChem CID91568292
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-n2ncc3nc(Br)ccc32)cc1
InChIInChI=1S/C12H7BrFN3/c13-12-6-5-11-10(16-12)7-15-17(11)9-3-1-8(14)2-4-9/h1-7H
InChIKeyTYBLIARARCIUPN-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)indazol-5-amine
CID 59235727
5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
CID 168813334
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine
CID 67377976
(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598107
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine;ethane;N-[(6R,7S)-5-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide;N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
CID 161243489
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
5-chloro-1-(4-fluorophenyl)pyrazolo[4,5-b]pyrazine-6-carbaldehyde
CID 166676648
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 164955972
1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 141324594
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine (CID 91568292) is 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-n2ncc3nc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine?
The InChIKey is TYBLIARARCIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-12-6-5-11-10(16-12)7-15-17(11)9-3-1-8(14)2-4-9/h1-7H.
What are the key properties of 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine?
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine has a molecular weight of 292.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 91568292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).