[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol

C15H17BrF2N2O2 — CID 155437744

IUPAC[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1
InChIInChI=1S/C15H17BrF2N2O2/c16-12-5-10-7-20(11-3-1-9(8-21)2-4-11)19-13(10)6-14(12)22-15(17)18/h5-7,9,11,15,21H,1-4,8H2
InChIKeyYRSLYGZGXNITCZ-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.12
Rot. Bonds4

About [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol

[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol (PubChem CID 155437744) has the molecular formula C15H17BrF2N2O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol
PubChem CID155437744
Molecular FormulaC15H17BrF2N2O2
Molecular Weight375.21 g/mol
Exact Mass374.04
IUPAC Name[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1
InChIInChI=1S/C15H17BrF2N2O2/c16-12-5-10-7-20(11-3-1-9(8-21)2-4-11)19-13(10)6-14(12)22-15(17)18/h5-7,9,11,15,21H,1-4,8H2
InChIKeyYRSLYGZGXNITCZ-UHFFFAOYSA-N
XLogP4.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The IUPAC name of [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol (CID 155437744) is [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol is OCC1CCC(n2cc3cc(Br)c(OC(F)F)cc3n2)CC1.
What is the InChIKey of [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The InChIKey is YRSLYGZGXNITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N2O2/c16-12-5-10-7-20(11-3-1-9(8-21)2-4-11)19-13(10)6-14(12)22-15(17)18/h5-7,9,11,15,21H,1-4,8H2.
What are the key properties of [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
[4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol has a molecular weight of 375.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 155437744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).