6-bromo-3-methoxy-1,2-dihydropyridine

C6H8BrNO — CID 129182067

IUPAC6-bromo-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=C(Br)NC1
InChIInChI=1S/C6H8BrNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyPMPMTLYCCBHWEE-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.36
Rot. Bonds1

About 6-bromo-3-methoxy-1,2-dihydropyridine

6-bromo-3-methoxy-1,2-dihydropyridine (PubChem CID 129182067) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 6-bromo-3-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3-methoxy-1,2-dihydropyridine
PubChem CID129182067
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name6-bromo-3-methoxy-1,2-dihydropyridine
SMILESCOC1=CC=C(Br)NC1
InChIInChI=1S/C6H8BrNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyPMPMTLYCCBHWEE-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-1,2-dihydropyridine?
The IUPAC name of 6-bromo-3-methoxy-1,2-dihydropyridine (CID 129182067) is 6-bromo-3-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 6-bromo-3-methoxy-1,2-dihydropyridine?
The canonical SMILES for 6-bromo-3-methoxy-1,2-dihydropyridine is COC1=CC=C(Br)NC1.
What is the InChIKey of 6-bromo-3-methoxy-1,2-dihydropyridine?
The InChIKey is PMPMTLYCCBHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-9-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3.
What are the key properties of 6-bromo-3-methoxy-1,2-dihydropyridine?
6-bromo-3-methoxy-1,2-dihydropyridine has a molecular weight of 190.04 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 129182067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).