5-bromo-2-ethyl-2,3-dihydropyridine

C7H10BrN — CID 134604310

IUPAC5-bromo-2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=C(Br)C=N1
InChIInChI=1S/C7H10BrN/c1-2-7-4-3-6(8)5-9-7/h3,5,7H,2,4H2,1H3
InChIKeyFLNVZUKPPKPSRS-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.52
Rot. Bonds1

About 5-bromo-2-ethyl-2,3-dihydropyridine

5-bromo-2-ethyl-2,3-dihydropyridine (PubChem CID 134604310) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 5-bromo-2-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-bromo-2-ethyl-2,3-dihydropyridine
PubChem CID134604310
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name5-bromo-2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=C(Br)C=N1
InChIInChI=1S/C7H10BrN/c1-2-7-4-3-6(8)5-9-7/h3,5,7H,2,4H2,1H3
InChIKeyFLNVZUKPPKPSRS-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-fluoro-2,3-dihydropyridine
CID 89742590
3-Bromo-2-methyl-2,3-dihydropyridine
CID 54205800
2-Ethyl-2,3-dihydropyridine
CID 67522417
5-bromo-2,3,3-trimethyl-2H-pyridine
CID 68151871
2-(2-Bromoethyl)-2,3-dihydropyridine
CID 69571607
6-Bromo-2-methyl-2,3-dihydropyridine
CID 89126576
5-Bromo-2,3-dihydropyridine
CID 89519181
4-Bromo-2,6-dimethyl-2,3-dihydropyridine
CID 123420206
(2R)-2-ethyl-2,3-dihydropyridine
CID 124141456
5-Bromo-2-tert-butyl-2,3-dihydropyridine
CID 126701592
(E)-2-bromo-N-methylpent-2-en-1-imine
CID 129112228
(2S)-3-bromo-2,3-dimethyl-2H-pyridine
CID 173868394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-2,3-dihydropyridine?
The IUPAC name of 5-bromo-2-ethyl-2,3-dihydropyridine (CID 134604310) is 5-bromo-2-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-bromo-2-ethyl-2,3-dihydropyridine?
The canonical SMILES for 5-bromo-2-ethyl-2,3-dihydropyridine is CCC1CC=C(Br)C=N1.
What is the InChIKey of 5-bromo-2-ethyl-2,3-dihydropyridine?
The InChIKey is FLNVZUKPPKPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-2-7-4-3-6(8)5-9-7/h3,5,7H,2,4H2,1H3.
What are the key properties of 5-bromo-2-ethyl-2,3-dihydropyridine?
5-bromo-2-ethyl-2,3-dihydropyridine has a molecular weight of 188.07 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-2,3-dihydropyridine is sourced from PubChem (CID 134604310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).