4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole

C14H16BrClN2O — CID 169184718

IUPAC4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
SMILESCc1c(Cl)cc2c(c(C)nn2C2CCCCO2)c1Br
InChIInChI=1S/C14H16BrClN2O/c1-8-10(16)7-11-13(14(8)15)9(2)17-18(11)12-5-3-4-6-19-12/h7,12H,3-6H2,1-2H3
InChIKeyYNECFECFXOLZMC-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.77
Rot. Bonds1

About 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole

4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole (PubChem CID 169184718) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
PubChem CID169184718
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
SMILESCc1c(Cl)cc2c(c(C)nn2C2CCCCO2)c1Br
InChIInChI=1S/C14H16BrClN2O/c1-8-10(16)7-11-13(14(8)15)9(2)17-18(11)12-5-3-4-6-19-12/h7,12H,3-6H2,1-2H3
InChIKeyYNECFECFXOLZMC-UHFFFAOYSA-N
XLogP4.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
4-bromo-6-chloro-5-methyl-2-(oxan-2-yl)indazole
CID 165430986
3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine
CID 171084513
4-bromo-3-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
CID 135319055
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
CID 178018564
CID 178018564
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
tert-butyl (3S)-3-[6-bromo-3-methyl-1-(oxan-2-yl)indazol-4-yl]oxypyrrolidine-1-carboxylate
CID 140959039
4-bromo-3-chloro-5-methyl-1-(oxan-2-yl)indazole;3-chloro-5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane
CID 158976029
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole?
The IUPAC name of 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole (CID 169184718) is 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole is Cc1c(Cl)cc2c(c(C)nn2C2CCCCO2)c1Br.
What is the InChIKey of 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole?
The InChIKey is YNECFECFXOLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-8-10(16)7-11-13(14(8)15)9(2)17-18(11)12-5-3-4-6-19-12/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole?
4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole has a molecular weight of 343.65 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 169184718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).