5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole

C12H12BrFN2O — CID 129379553

IUPAC5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
SMILESFc1cc(Br)cc2cnn([C@H]3CCCCO3)c12
InChIInChI=1S/C12H12BrFN2O/c13-9-5-8-7-15-16(12(8)10(14)6-9)11-3-1-2-4-17-11/h5-7,11H,1-4H2/t11-/m1/s1
InChIKeyDGWXHIXZDXUKHH-LLVKDONJSA-N
MW299.14 g/mol
LogP3.64
Rot. Bonds1

About 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole

5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole (PubChem CID 129379553) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole.

Molecular Properties

Compound Name5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
PubChem CID129379553
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
SMILESFc1cc(Br)cc2cnn([C@H]3CCCCO3)c12
InChIInChI=1S/C12H12BrFN2O/c13-9-5-8-7-15-16(12(8)10(14)6-9)11-3-1-2-4-17-11/h5-7,11H,1-4H2/t11-/m1/s1
InChIKeyDGWXHIXZDXUKHH-LLVKDONJSA-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

6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 169212239
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
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-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
CID 163261780
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
CID 162044579
CID 162044579
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole?
The IUPAC name of 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole (CID 129379553) is 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole.
What is the SMILES notation for 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole?
The canonical SMILES for 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole is Fc1cc(Br)cc2cnn([C@H]3CCCCO3)c12.
What is the InChIKey of 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole?
The InChIKey is DGWXHIXZDXUKHH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c13-9-5-8-7-15-16(12(8)10(14)6-9)11-3-1-2-4-17-11/h5-7,11H,1-4H2/t11-/m1/s1.
What are the key properties of 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole?
5-bromo-7-fluoro-1-[(2R)-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 5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole is sourced from PubChem (CID 129379553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).