5-bromo-4-fluoro-1-(oxolan-3-yl)indazole

C11H10BrFN2O — CID 134385161

IUPAC5-bromo-4-fluoro-1-(oxolan-3-yl)indazole
SMILESFc1c(Br)ccc2c1cnn2C1CCOC1
InChIInChI=1S/C11H10BrFN2O/c12-9-1-2-10-8(11(9)13)5-14-15(10)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2
InChIKeyZOAXXDKNLJVNEC-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.90
Rot. Bonds1

About 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole

5-bromo-4-fluoro-1-(oxolan-3-yl)indazole (PubChem CID 134385161) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1-(oxolan-3-yl)indazole
PubChem CID134385161
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-bromo-4-fluoro-1-(oxolan-3-yl)indazole
SMILESFc1c(Br)ccc2c1cnn2C1CCOC1
InChIInChI=1S/C11H10BrFN2O/c12-9-1-2-10-8(11(9)13)5-14-15(10)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2
InChIKeyZOAXXDKNLJVNEC-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-1-cyclopropylindazole
CID 164860942
5-bromo-1-(oxolan-3-yl)-4-phenoxypyrazole
CID 117231769
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-amino-3-(4-bromo-3-fluorophenyl)-1-(oxolan-3-yl)pyrazole-4-carbonitrile
CID 129247919
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923
6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole
CID 176566043
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
(3R)-3-(4-fluorophenyl)-7-(oxan-2-yl)-3,4-dihydro-2H-pyrazolo[5,4-h][1,4]benzoxazine
CID 142405775
1-(2,6-difluorophenyl)-N-[4-[(3R)-3-methylpyrrolidin-1-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide
CID 168988229
5-iodo-1-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 130570199
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole?
The IUPAC name of 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole (CID 134385161) is 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole.
What is the SMILES notation for 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole?
The canonical SMILES for 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole is Fc1c(Br)ccc2c1cnn2C1CCOC1.
What is the InChIKey of 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole?
The InChIKey is ZOAXXDKNLJVNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-9-1-2-10-8(11(9)13)5-14-15(10)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole?
5-bromo-4-fluoro-1-(oxolan-3-yl)indazole has a molecular weight of 285.12 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1-(oxolan-3-yl)indazole is sourced from PubChem (CID 134385161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).