2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine

C10H11BrClNO — CID 166887001

IUPAC2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine
SMILESC=C(OCC)c1ccc(Cl)nc1CBr
InChIInChI=1S/C10H11BrClNO/c1-3-14-7(2)8-4-5-10(12)13-9(8)6-11/h4-5H,2-3,6H2,1H3
InChIKeyVMAPBBUWFQNUNM-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.64
Rot. Bonds4

About 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine

2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine (PubChem CID 166887001) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine
PubChem CID166887001
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine
SMILESC=C(OCC)c1ccc(Cl)nc1CBr
InChIInChI=1S/C10H11BrClNO/c1-3-14-7(2)8-4-5-10(12)13-9(8)6-11/h4-5H,2-3,6H2,1H3
InChIKeyVMAPBBUWFQNUNM-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine?
The IUPAC name of 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine (CID 166887001) is 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine is C=C(OCC)c1ccc(Cl)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine?
The InChIKey is VMAPBBUWFQNUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-3-14-7(2)8-4-5-10(12)13-9(8)6-11/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine?
2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine has a molecular weight of 276.56 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine is sourced from PubChem (CID 166887001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).