2-bromo-2,3-dihydropyridin-3-ide;vanadium

C5H5BrNV- — CID 59083783

IUPAC2-bromo-2,3-dihydropyridin-3-ide;vanadium
SMILESBrC1[CH-]C=CC=N1.[V]
InChIInChI=1S/C5H5BrN.V/c6-5-3-1-2-4-7-5;/h1-5H;/q-1;
InChIKeyJESDMWHSQVQJKI-UHFFFAOYSA-N
MW209.95 g/mol
LogP1.55
Rot. Bonds

About 2-bromo-2,3-dihydropyridin-3-ide;vanadium

2-bromo-2,3-dihydropyridin-3-ide;vanadium (PubChem CID 59083783) has the molecular formula C5H5BrNV- and a molecular weight of 209.95 g/mol. Its IUPAC name is 2-bromo-2,3-dihydropyridin-3-ide;vanadium.

Molecular Properties

Compound Name2-bromo-2,3-dihydropyridin-3-ide;vanadium
PubChem CID59083783
Molecular FormulaC5H5BrNV-
Molecular Weight209.95 g/mol
Exact Mass208.91
IUPAC Name2-bromo-2,3-dihydropyridin-3-ide;vanadium
SMILESBrC1[CH-]C=CC=N1.[V]
InChIInChI=1S/C5H5BrN.V/c6-5-3-1-2-4-7-5;/h1-5H;/q-1;
InChIKeyJESDMWHSQVQJKI-UHFFFAOYSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.95
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-2-fluoro-2,3-dihydropyridine
CID 155445687
3-Bromo-2,3-dihydropyridine
CID 18419471
2-Bromo-2,3-dihydropyridine
CID 53778350
5-bromo-3H-pyridin-1-ium
CID 57132471
4-bromo-3H-pyridin-1-ium
CID 57188262
2,4-Dibromo-2,3-dihydropyridine
CID 59825077
2,6-Dibromo-2,3-dihydropyridine
CID 68056077
6-Bromo-2,3-dihydropyridine
CID 68374044
2-(2-Bromoethyl)-2,3-dihydropyridine
CID 69571607
2-(Bromomethyl)-2,3-dihydropyridine
CID 69987175
4-Bromo-2,3-dihydropyridine
CID 70109309
2,3-dibromo-3-methyl-2H-pyridine
CID 70207114

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3-dihydropyridin-3-ide;vanadium?
The IUPAC name of 2-bromo-2,3-dihydropyridin-3-ide;vanadium (CID 59083783) is 2-bromo-2,3-dihydropyridin-3-ide;vanadium.
What is the SMILES notation for 2-bromo-2,3-dihydropyridin-3-ide;vanadium?
The canonical SMILES for 2-bromo-2,3-dihydropyridin-3-ide;vanadium is BrC1[CH-]C=CC=N1.[V].
What is the InChIKey of 2-bromo-2,3-dihydropyridin-3-ide;vanadium?
The InChIKey is JESDMWHSQVQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN.V/c6-5-3-1-2-4-7-5;/h1-5H;/q-1;.
What are the key properties of 2-bromo-2,3-dihydropyridin-3-ide;vanadium?
2-bromo-2,3-dihydropyridin-3-ide;vanadium has a molecular weight of 209.95 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-dihydropyridin-3-ide;vanadium is sourced from PubChem (CID 59083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).