[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol

C13H18BrNO2 — CID 62001341

IUPAC[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
SMILESCC1CCC(Oc2ncc(Br)cc2CO)CC1
InChIInChI=1S/C13H18BrNO2/c1-9-2-4-12(5-3-9)17-13-10(8-16)6-11(14)7-15-13/h6-7,9,12,16H,2-5,8H2,1H3
InChIKeyISTZJOOVAGGNSK-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.29
Rot. Bonds3

About [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol

[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol (PubChem CID 62001341) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
PubChem CID62001341
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
SMILESCC1CCC(Oc2ncc(Br)cc2CO)CC1
InChIInChI=1S/C13H18BrNO2/c1-9-2-4-12(5-3-9)17-13-10(8-16)6-11(14)7-15-13/h6-7,9,12,16H,2-5,8H2,1H3
InChIKeyISTZJOOVAGGNSK-UHFFFAOYSA-N
XLogP3.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol (CID 62001341) is [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol is CC1CCC(Oc2ncc(Br)cc2CO)CC1.
What is the InChIKey of [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol?
The InChIKey is ISTZJOOVAGGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-2-4-12(5-3-9)17-13-10(8-16)6-11(14)7-15-13/h6-7,9,12,16H,2-5,8H2,1H3.
What are the key properties of [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol?
[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol has a molecular weight of 300.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol is sourced from PubChem (CID 62001341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).