(3R)-3-bromo-2,3-dihydropyridine

C5H6BrN — CID 145160599

IUPAC(3R)-3-bromo-2,3-dihydropyridine
SMILESBr[C@@H]1C=CC=NC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2/t5-/m1/s1
InChIKeyYDANBUKDCCVCKP-RXMQYKEDSA-N
MW160.01 g/mol
LogP1.39
Rot. Bonds

About (3R)-3-bromo-2,3-dihydropyridine

(3R)-3-bromo-2,3-dihydropyridine (PubChem CID 145160599) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is (3R)-3-bromo-2,3-dihydropyridine.

Molecular Properties

Compound Name(3R)-3-bromo-2,3-dihydropyridine
PubChem CID145160599
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name(3R)-3-bromo-2,3-dihydropyridine
SMILESBr[C@@H]1C=CC=NC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2/t5-/m1/s1
InChIKeyYDANBUKDCCVCKP-RXMQYKEDSA-N
XLogP1.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.01
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine
CID 13347754
4-Bromo-2-fluoro-2,3-dihydropyridine
CID 155445687
5-Bromo-2-fluoro-2,3-dihydropyridine
CID 163729763
2,3-Dibromo-5-fluoro-2,3-dihydropyridine
CID 117590605
3-bromo-3-(trifluoromethyl)-2H-pyridine
CID 149605722
3-Bromo-2,3-dihydropyridine
CID 18419471
2-Bromo-2,3-dihydropyridine
CID 53778350
3-Bromo-2-methyl-2,3-dihydropyridine
CID 54205800
5-bromo-3H-pyridin-1-ium
CID 57132471
4-bromo-3H-pyridin-1-ium
CID 57188262
2-Bromo-2,3-dihydropyridin-3-ide;vanadium
CID 59083783
2,4-Dibromo-2,3-dihydropyridine
CID 59825077

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-2,3-dihydropyridine?
The IUPAC name of (3R)-3-bromo-2,3-dihydropyridine (CID 145160599) is (3R)-3-bromo-2,3-dihydropyridine.
What is the SMILES notation for (3R)-3-bromo-2,3-dihydropyridine?
The canonical SMILES for (3R)-3-bromo-2,3-dihydropyridine is Br[C@@H]1C=CC=NC1.
What is the InChIKey of (3R)-3-bromo-2,3-dihydropyridine?
The InChIKey is YDANBUKDCCVCKP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2/t5-/m1/s1.
What are the key properties of (3R)-3-bromo-2,3-dihydropyridine?
(3R)-3-bromo-2,3-dihydropyridine has a molecular weight of 160.01 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-2,3-dihydropyridine is sourced from PubChem (CID 145160599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).