[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol

C15H18BrFN2O2 — CID 155437638

IUPAC[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol
SMILESCOc1c(Br)cc2cn(C3CCC(CO)CC3)nc2c1F
InChIInChI=1S/C15H18BrFN2O2/c1-21-15-12(16)6-10-7-19(18-14(10)13(15)17)11-4-2-9(8-20)3-5-11/h6-7,9,11,20H,2-5,8H2,1H3
InChIKeyQZULBFHMXKEDHY-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.67
Rot. Bonds3

About [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol

[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol (PubChem CID 155437638) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol
PubChem CID155437638
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol
SMILESCOc1c(Br)cc2cn(C3CCC(CO)CC3)nc2c1F
InChIInChI=1S/C15H18BrFN2O2/c1-21-15-12(16)6-10-7-19(18-14(10)13(15)17)11-4-2-9(8-20)3-5-11/h6-7,9,11,20H,2-5,8H2,1H3
InChIKeyQZULBFHMXKEDHY-UHFFFAOYSA-N
XLogP3.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol?
The IUPAC name of [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol (CID 155437638) is [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol?
The canonical SMILES for [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol is COc1c(Br)cc2cn(C3CCC(CO)CC3)nc2c1F.
What is the InChIKey of [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol?
The InChIKey is QZULBFHMXKEDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-21-15-12(16)6-10-7-19(18-14(10)13(15)17)11-4-2-9(8-20)3-5-11/h6-7,9,11,20H,2-5,8H2,1H3.
What are the key properties of [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol?
[4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol has a molecular weight of 357.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 155437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).