6-bromo-2-propoxy-3-propylpyridine

C11H16BrNO — CID 57118224

IUPAC6-bromo-2-propoxy-3-propylpyridine
SMILESCCCOc1nc(Br)ccc1CCC
InChIInChI=1S/C11H16BrNO/c1-3-5-9-6-7-10(12)13-11(9)14-8-4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyZPIRCCCSQATBJB-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.59
Rot. Bonds5

About 6-bromo-2-propoxy-3-propylpyridine

6-bromo-2-propoxy-3-propylpyridine (PubChem CID 57118224) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 6-bromo-2-propoxy-3-propylpyridine.

Molecular Properties

Compound Name6-bromo-2-propoxy-3-propylpyridine
PubChem CID57118224
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name6-bromo-2-propoxy-3-propylpyridine
SMILESCCCOc1nc(Br)ccc1CCC
InChIInChI=1S/C11H16BrNO/c1-3-5-9-6-7-10(12)13-11(9)14-8-4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyZPIRCCCSQATBJB-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-propoxy-5-propyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 154277902
3-propoxy-4-propylphenol
CID 22123839
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
6-methyl-2-propoxypyridin-3-ol
CID 125426355
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
2,6-diethoxy-3-(propoxymethyl)pyridine
CID 12762185
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
3,5-dibromo-2-propoxypyridin-4-amine
CID 130114443
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
2-bromo-5-butoxypyridine
CID 87199523

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propoxy-3-propylpyridine?
The IUPAC name of 6-bromo-2-propoxy-3-propylpyridine (CID 57118224) is 6-bromo-2-propoxy-3-propylpyridine.
What is the SMILES notation for 6-bromo-2-propoxy-3-propylpyridine?
The canonical SMILES for 6-bromo-2-propoxy-3-propylpyridine is CCCOc1nc(Br)ccc1CCC.
What is the InChIKey of 6-bromo-2-propoxy-3-propylpyridine?
The InChIKey is ZPIRCCCSQATBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-5-9-6-7-10(12)13-11(9)14-8-4-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 6-bromo-2-propoxy-3-propylpyridine?
6-bromo-2-propoxy-3-propylpyridine has a molecular weight of 258.16 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propoxy-3-propylpyridine is sourced from PubChem (CID 57118224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).