2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone

C14H15BrN2O2 — CID 170560839

IUPAC2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESO=C(CBr)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C14H15BrN2O2/c15-8-13(18)10-4-5-12-11(7-10)9-16-17(12)14-3-1-2-6-19-14/h4-5,7,9,14H,1-3,6,8H2
InChIKeyPNGDGJAXCJHZJM-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.31
Rot. Bonds3

About 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone

2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone (PubChem CID 170560839) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
PubChem CID170560839
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESO=C(CBr)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C14H15BrN2O2/c15-8-13(18)10-4-5-12-11(7-10)9-16-17(12)14-3-1-2-6-19-14/h4-5,7,9,14H,1-3,6,8H2
InChIKeyPNGDGJAXCJHZJM-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
1-[(2S)-oxan-2-yl]indazole
CID 124562379
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
4-[1-(oxan-2-yl)indazol-5-yl]but-3-yn-1-ol
CID 66793408
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole
CID 141473392
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The IUPAC name of 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone (CID 170560839) is 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone.
What is the SMILES notation for 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The canonical SMILES for 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone is O=C(CBr)c1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The InChIKey is PNGDGJAXCJHZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-8-13(18)10-4-5-12-11(7-10)9-16-17(12)14-3-1-2-6-19-14/h4-5,7,9,14H,1-3,6,8H2.
What are the key properties of 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone has a molecular weight of 323.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone is sourced from PubChem (CID 170560839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).