3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine

C11H11Br2N3O — CID 121228843

IUPAC3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
SMILESBrc1ccc2c(n1)c(Br)nn2C1CCCCO1
InChIInChI=1S/C11H11Br2N3O/c12-8-5-4-7-10(14-8)11(13)15-16(7)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2
InChIKeyYKQUEVVWSPAQBA-UHFFFAOYSA-N
MW361.04 g/mol
LogP3.66
Rot. Bonds1

About 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine

3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine (PubChem CID 121228843) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
PubChem CID121228843
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
SMILESBrc1ccc2c(n1)c(Br)nn2C1CCCCO1
InChIInChI=1S/C11H11Br2N3O/c12-8-5-4-7-10(14-8)11(13)15-16(7)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2
InChIKeyYKQUEVVWSPAQBA-UHFFFAOYSA-N
XLogP3.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 53.66
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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Related Compounds

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
CID 558926
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine (CID 121228843) is 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine is Brc1ccc2c(n1)c(Br)nn2C1CCCCO1.
What is the InChIKey of 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
The InChIKey is YKQUEVVWSPAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c12-8-5-4-7-10(14-8)11(13)15-16(7)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2.
What are the key properties of 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine?
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine has a molecular weight of 361.04 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 121228843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).