5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole

C15H17BrF2N2O2 — CID 155751741

IUPAC5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole
SMILESCOC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1
InChIInChI=1S/C15H17BrF2N2O2/c1-21-11-4-2-10(3-5-11)20-8-9-6-12(16)14(22-15(17)18)7-13(9)19-20/h6-8,10-11,15H,2-5H2,1H3
InChIKeyKQDABNMCURFWSY-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.53
Rot. Bonds4

About 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole

5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole (PubChem CID 155751741) has the molecular formula C15H17BrF2N2O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole.

Molecular Properties

Compound Name5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole
PubChem CID155751741
Molecular FormulaC15H17BrF2N2O2
Molecular Weight375.21 g/mol
Exact Mass374.04
IUPAC Name5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole
SMILESCOC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1
InChIInChI=1S/C15H17BrF2N2O2/c1-21-11-4-2-10(3-5-11)20-8-9-6-12(16)14(22-15(17)18)7-13(9)19-20/h6-8,10-11,15H,2-5H2,1H3
InChIKeyKQDABNMCURFWSY-UHFFFAOYSA-N
XLogP4.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole?
The IUPAC name of 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole (CID 155751741) is 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole.
What is the SMILES notation for 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole?
The canonical SMILES for 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole is COC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1.
What is the InChIKey of 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole?
The InChIKey is KQDABNMCURFWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N2O2/c1-21-11-4-2-10(3-5-11)20-8-9-6-12(16)14(22-15(17)18)7-13(9)19-20/h6-8,10-11,15H,2-5H2,1H3.
What are the key properties of 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole?
5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole has a molecular weight of 375.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole is sourced from PubChem (CID 155751741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).