3-bromo-7-fluoro-1-(oxan-2-yl)indazole

C12H12BrFN2O — CID 151478980

IUPAC3-bromo-7-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cccc2c(Br)nn(C3CCCCO3)c12
InChIInChI=1S/C12H12BrFN2O/c13-12-8-4-3-5-9(14)11(8)16(15-12)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7H2
InChIKeyPMBFXONCDXEANX-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.64
Rot. Bonds1

About 3-bromo-7-fluoro-1-(oxan-2-yl)indazole

3-bromo-7-fluoro-1-(oxan-2-yl)indazole (PubChem CID 151478980) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 3-bromo-7-fluoro-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3-bromo-7-fluoro-1-(oxan-2-yl)indazole
PubChem CID151478980
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name3-bromo-7-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cccc2c(Br)nn(C3CCCCO3)c12
InChIInChI=1S/C12H12BrFN2O/c13-12-8-4-3-5-9(14)11(8)16(15-12)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7H2
InChIKeyPMBFXONCDXEANX-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
[7-bromo-2-(oxan-2-yl)indazol-3-yl]-(3,4,5-trifluorophenyl)methanone
CID 166101988
5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
CID 66875398
CID 148973784
CID 148973784
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
CID 169209858
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-1-(oxan-2-yl)indazole?
The IUPAC name of 3-bromo-7-fluoro-1-(oxan-2-yl)indazole (CID 151478980) is 3-bromo-7-fluoro-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3-bromo-7-fluoro-1-(oxan-2-yl)indazole?
The canonical SMILES for 3-bromo-7-fluoro-1-(oxan-2-yl)indazole is Fc1cccc2c(Br)nn(C3CCCCO3)c12.
What is the InChIKey of 3-bromo-7-fluoro-1-(oxan-2-yl)indazole?
The InChIKey is PMBFXONCDXEANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c13-12-8-4-3-5-9(14)11(8)16(15-12)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7H2.
What are the key properties of 3-bromo-7-fluoro-1-(oxan-2-yl)indazole?
3-bromo-7-fluoro-1-(oxan-2-yl)indazole has a molecular weight of 299.14 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-1-(oxan-2-yl)indazole is sourced from PubChem (CID 151478980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).