5-bromo-4-hexoxypyridin-2-amine

C11H17BrN2O — CID 153440558

IUPAC5-bromo-4-hexoxypyridin-2-amine
SMILESCCCCCCOc1cc(N)ncc1Br
InChIInChI=1S/C11H17BrN2O/c1-2-3-4-5-6-15-10-7-11(13)14-8-9(10)12/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyNRHIIXRDLCPORI-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-4-hexoxypyridin-2-amine

5-bromo-4-hexoxypyridin-2-amine (PubChem CID 153440558) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-bromo-4-hexoxypyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-hexoxypyridin-2-amine
PubChem CID153440558
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-bromo-4-hexoxypyridin-2-amine
SMILESCCCCCCOc1cc(N)ncc1Br
InChIInChI=1S/C11H17BrN2O/c1-2-3-4-5-6-15-10-7-11(13)14-8-9(10)12/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyNRHIIXRDLCPORI-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-ethoxypyridin-2-amine;hydrobromide
CID 134328436
4-bromo-3-heptoxyaniline
CID 103008551
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
1,4-dibromo-2,5-dihexoxybenzene;1,3,5-tribromobenzene
CID 161271933
2,6,10-tribromo-3,7,11-trihexoxytriphenylene
CID 88922830
5-bromo-6-heptoxypyridin-3-amine
CID 79535566
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
5-bromo-2-hexoxyaniline
CID 28994958
2,4-dibromo-1-heptoxybenzene
CID 101293515
5-octoxypyridin-2-amine
CID 43126983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hexoxypyridin-2-amine?
The IUPAC name of 5-bromo-4-hexoxypyridin-2-amine (CID 153440558) is 5-bromo-4-hexoxypyridin-2-amine.
What is the SMILES notation for 5-bromo-4-hexoxypyridin-2-amine?
The canonical SMILES for 5-bromo-4-hexoxypyridin-2-amine is CCCCCCOc1cc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-hexoxypyridin-2-amine?
The InChIKey is NRHIIXRDLCPORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-2-3-4-5-6-15-10-7-11(13)14-8-9(10)12/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-4-hexoxypyridin-2-amine?
5-bromo-4-hexoxypyridin-2-amine has a molecular weight of 273.17 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hexoxypyridin-2-amine is sourced from PubChem (CID 153440558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).