3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine

C9H9BrClNO — CID 169475561

IUPAC3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1C=CCBr
InChIInChI=1S/C9H9BrClNO/c1-13-9-7(3-2-4-10)5-8(11)6-12-9/h2-3,5-6H,4H2,1H3
InChIKeyWLPPEEYXEBCOPK-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine

3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine (PubChem CID 169475561) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
PubChem CID169475561
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1C=CCBr
InChIInChI=1S/C9H9BrClNO/c1-13-9-7(3-2-4-10)5-8(11)6-12-9/h2-3,5-6H,4H2,1H3
InChIKeyWLPPEEYXEBCOPK-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine?
The IUPAC name of 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine (CID 169475561) is 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine is COc1ncc(Cl)cc1C=CCBr.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine?
The InChIKey is WLPPEEYXEBCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-13-9-7(3-2-4-10)5-8(11)6-12-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine?
3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine has a molecular weight of 262.53 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine is sourced from PubChem (CID 169475561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).