4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C9H5BrFN3O — CID 155296454

IUPAC4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(Br)c2c(C#N)cnn2c1F
InChIInChI=1S/C9H5BrFN3O/c1-15-7-2-6(10)8-5(3-12)4-13-14(8)9(7)11/h2,4H,1H3
InChIKeyCWVSDSDLCZHZGI-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296454) has the molecular formula C9H5BrFN3O and a molecular weight of 270.06 g/mol. Its IUPAC name is 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296454
Molecular FormulaC9H5BrFN3O
Molecular Weight270.06 g/mol
Exact Mass268.96
IUPAC Name4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(Br)c2c(C#N)cnn2c1F
InChIInChI=1S/C9H5BrFN3O/c1-15-7-2-6(10)8-5(3-12)4-13-14(8)9(7)11/h2,4H,1H3
InChIKeyCWVSDSDLCZHZGI-UHFFFAOYSA-N
XLogP2.12
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296454) is 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(Br)c2c(C#N)cnn2c1F.
What is the InChIKey of 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CWVSDSDLCZHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN3O/c1-15-7-2-6(10)8-5(3-12)4-13-14(8)9(7)11/h2,4H,1H3.
What are the key properties of 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 270.06 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).