3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one

C12H8BrN3O2 — CID 136658253

IUPAC3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]c(O)cc2nn(-c3ccccc3)c(Br)c12
InChIInChI=1S/C12H8BrN3O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-6,17H,(H,14,18)
InChIKeyFRUSKRCSWABTQP-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.18
Rot. Bonds1

About 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one

3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136658253) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136658253
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]c(O)cc2nn(-c3ccccc3)c(Br)c12
InChIInChI=1S/C12H8BrN3O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-6,17H,(H,14,18)
InChIKeyFRUSKRCSWABTQP-UHFFFAOYSA-N
XLogP2.18
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207
3-amino-2-(3-fluoro-2-hydroxyphenyl)-6-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136622072
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136506414
4-[(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)methyl]benzoic acid
CID 136651860
4-bromo-15-phenyl-8,14,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13-heptaen-16-one
CID 137258447
3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 144934394
5-(1,2-dibromopropyl)-2-phenyl-4H-1,2,4-triazol-3-one
CID 135441006
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
5,6-diiodo-2-phenylpyridazin-3-one
CID 89243165
7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
CID 137239094
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137048885

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136658253) is 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one is O=c1[nH]c(O)cc2nn(-c3ccccc3)c(Br)c12.
What is the InChIKey of 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is FRUSKRCSWABTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-6,17H,(H,14,18).
What are the key properties of 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one?
3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 306.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136658253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).