5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine

C12H17BrN2O — CID 166607102

IUPAC5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
SMILESCC1CCC(Oc2cc(N)ncc2Br)CC1
InChIInChI=1S/C12H17BrN2O/c1-8-2-4-9(5-3-8)16-11-6-12(14)15-7-10(11)13/h6-9H,2-5H2,1H3,(H2,14,15)
InChIKeyXWLBFVRSKBZHHF-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.38
Rot. Bonds2

About 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine

5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine (PubChem CID 166607102) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
PubChem CID166607102
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
SMILESCC1CCC(Oc2cc(N)ncc2Br)CC1
InChIInChI=1S/C12H17BrN2O/c1-8-2-4-9(5-3-8)16-11-6-12(14)15-7-10(11)13/h6-9H,2-5H2,1H3,(H2,14,15)
InChIKeyXWLBFVRSKBZHHF-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine?
The IUPAC name of 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine (CID 166607102) is 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine?
The canonical SMILES for 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine is CC1CCC(Oc2cc(N)ncc2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine?
The InChIKey is XWLBFVRSKBZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-2-4-9(5-3-8)16-11-6-12(14)15-7-10(11)13/h6-9H,2-5H2,1H3,(H2,14,15).
What are the key properties of 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine?
5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine is sourced from PubChem (CID 166607102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).