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

C15H16BrF3N2O2 — CID 155438039

IUPAC[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(OC(F)(F)F)cc3n2)CC1
InChIInChI=1S/C15H16BrF3N2O2/c16-12-5-10-7-21(11-3-1-9(8-22)2-4-11)20-13(10)6-14(12)23-15(17,18)19/h5-7,9,11,22H,1-4,8H2
InChIKeyUJRIHDMKQWUWNB-UHFFFAOYSA-N
MW393.20 g/mol
LogP4.42
Rot. Bonds3

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

[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol (PubChem CID 155438039) has the molecular formula C15H16BrF3N2O2 and a molecular weight of 393.20 g/mol. Its IUPAC name is [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
PubChem CID155438039
Molecular FormulaC15H16BrF3N2O2
Molecular Weight393.20 g/mol
Exact Mass392.03
IUPAC Name[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(OC(F)(F)F)cc3n2)CC1
InChIInChI=1S/C15H16BrF3N2O2/c16-12-5-10-7-21(11-3-1-9(8-22)2-4-11)20-13(10)6-14(12)23-15(17,18)19/h5-7,9,11,22H,1-4,8H2
InChIKeyUJRIHDMKQWUWNB-UHFFFAOYSA-N
XLogP4.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 164567417
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-(5-amino-6-methylindazol-2-yl)cyclohexyl]methanol
CID 170379953
6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide
CID 155437581
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
CID 162721663
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
[4-[6-methoxy-5-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 163362486
[4-[6-methoxy-5-(5-methoxy-2H-pyridin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 169226945

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The IUPAC name of [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol (CID 155438039) is [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol is OCC1CCC(n2cc3cc(Br)c(OC(F)(F)F)cc3n2)CC1.
What is the InChIKey of [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
The InChIKey is UJRIHDMKQWUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N2O2/c16-12-5-10-7-21(11-3-1-9(8-22)2-4-11)20-13(10)6-14(12)23-15(17,18)19/h5-7,9,11,22H,1-4,8H2.
What are the key properties of [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol?
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol has a molecular weight of 393.20 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 155438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).