6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one

C7H5BrFN3O — CID 137096038

IUPAC6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc2cc(Br)[nH]c(=O)c2c1F
InChIInChI=1S/C7H5BrFN3O/c1-12-6(9)5-3(11-12)2-4(8)10-7(5)13/h2H,1H3,(H,10,13)
InChIKeyZTVHRBLLEVSERY-UHFFFAOYSA-N
MW246.04 g/mol
LogP1.16
Rot. Bonds

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

6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137096038) has the molecular formula C7H5BrFN3O and a molecular weight of 246.04 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137096038
Molecular FormulaC7H5BrFN3O
Molecular Weight246.04 g/mol
Exact Mass244.96
IUPAC Name6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc2cc(Br)[nH]c(=O)c2c1F
InChIInChI=1S/C7H5BrFN3O/c1-12-6(9)5-3(11-12)2-4(8)10-7(5)13/h2H,1H3,(H,10,13)
InChIKeyZTVHRBLLEVSERY-UHFFFAOYSA-N
XLogP1.16
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137096038) is 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one is Cn1nc2cc(Br)[nH]c(=O)c2c1F.
What is the InChIKey of 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is ZTVHRBLLEVSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFN3O/c1-12-6(9)5-3(11-12)2-4(8)10-7(5)13/h2H,1H3,(H,10,13).
What are the key properties of 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one?
6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 246.04 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methyl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137096038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).