6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine

C8H10BrN — CID 143930449

IUPAC6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine
SMILESC=C(C)C1C=CC=C(Br)N1
InChIInChI=1S/C8H10BrN/c1-6(2)7-4-3-5-8(9)10-7/h3-5,7,10H,1H2,2H3
InChIKeyXZBVYDFBZNZRBT-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.33
Rot. Bonds1

About 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine

6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine (PubChem CID 143930449) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine
PubChem CID143930449
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine
SMILESC=C(C)C1C=CC=C(Br)N1
InChIInChI=1S/C8H10BrN/c1-6(2)7-4-3-5-8(9)10-7/h3-5,7,10H,1H2,2H3
InChIKeyXZBVYDFBZNZRBT-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine?
The IUPAC name of 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine (CID 143930449) is 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine?
The canonical SMILES for 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine is C=C(C)C1C=CC=C(Br)N1.
What is the InChIKey of 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine?
The InChIKey is XZBVYDFBZNZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6(2)7-4-3-5-8(9)10-7/h3-5,7,10H,1H2,2H3.
What are the key properties of 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine?
6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine has a molecular weight of 200.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-prop-1-en-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 143930449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).