3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole

C16H15BrN2O2 — CID 168525467

IUPAC3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
SMILESBrc1nn(C2CCCCO2)c2ccc(-c3ccco3)cc12
InChIInChI=1S/C16H15BrN2O2/c17-16-12-10-11(14-4-3-9-20-14)6-7-13(12)19(18-16)15-5-1-2-8-21-15/h3-4,6-7,9-10,15H,1-2,5,8H2
InChIKeyPYFLFDUPANASQU-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.76
Rot. Bonds2

About 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole

3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole (PubChem CID 168525467) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
PubChem CID168525467
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
SMILESBrc1nn(C2CCCCO2)c2ccc(-c3ccco3)cc12
InChIInChI=1S/C16H15BrN2O2/c17-16-12-10-11(14-4-3-9-20-14)6-7-13(12)19(18-16)15-5-1-2-8-21-15/h3-4,6-7,9-10,15H,1-2,5,8H2
InChIKeyPYFLFDUPANASQU-UHFFFAOYSA-N
XLogP4.76
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
CID 166146302
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
tert-butyl 2-[5-[3-bromo-1-(oxan-2-yl)indazol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 121378233
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
5-bromo-1-(oxan-2-yl)-3-phenylpyrazole
CID 142770509
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole?
The IUPAC name of 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole (CID 168525467) is 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole?
The canonical SMILES for 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole is Brc1nn(C2CCCCO2)c2ccc(-c3ccco3)cc12.
What is the InChIKey of 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole?
The InChIKey is PYFLFDUPANASQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-16-12-10-11(14-4-3-9-20-14)6-7-13(12)19(18-16)15-5-1-2-8-21-15/h3-4,6-7,9-10,15H,1-2,5,8H2.
What are the key properties of 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole?
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole has a molecular weight of 347.21 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 168525467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).