4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C11H12BrN3O — CID 121228913

IUPAC4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H12BrN3O/c12-9-6-13-7-10-8(9)5-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyQXCHSUWPAMKZCA-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.89
Rot. Bonds1

About 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 121228913) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID121228913
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H12BrN3O/c12-9-6-13-7-10-8(9)5-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyQXCHSUWPAMKZCA-UHFFFAOYSA-N
XLogP2.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 171465762
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]acetaldehyde;1,4-dioxane
CID 171613555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 121228913) is 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Brc1cncc2c1cnn2C1CCCCO1.
What is the InChIKey of 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is QXCHSUWPAMKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-6-13-7-10-8(9)5-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2.
What are the key properties of 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121228913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).