2-(1-bromoprop-2-enyl)pyridine

C8H8BrN — CID 70499448

IUPAC2-(1-bromoprop-2-enyl)pyridine
SMILESC=CC(Br)c1ccccn1
InChIInChI=1S/C8H8BrN/c1-2-7(9)8-5-3-4-6-10-8/h2-7H,1H2
InChIKeyZVRDNAPGNFVUOF-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.70
Rot. Bonds2

About 2-(1-bromoprop-2-enyl)pyridine

2-(1-bromoprop-2-enyl)pyridine (PubChem CID 70499448) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 2-(1-bromoprop-2-enyl)pyridine.

Molecular Properties

Compound Name2-(1-bromoprop-2-enyl)pyridine
PubChem CID70499448
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name2-(1-bromoprop-2-enyl)pyridine
SMILESC=CC(Br)c1ccccn1
InChIInChI=1S/C8H8BrN/c1-2-7(9)8-5-3-4-6-10-8/h2-7H,1H2
InChIKeyZVRDNAPGNFVUOF-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylprop-2-enyl)prop-2-en-1-amine
CID 69092299
2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine
CID 70599998
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 15261007
N-prop-2-enyl-1-pyridin-2-ylprop-2-en-1-amine
CID 68906017
2-[(2R)-pent-4-en-2-yl]pyridine
CID 134838450
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoprop-2-enyl)pyridine?
The IUPAC name of 2-(1-bromoprop-2-enyl)pyridine (CID 70499448) is 2-(1-bromoprop-2-enyl)pyridine.
What is the SMILES notation for 2-(1-bromoprop-2-enyl)pyridine?
The canonical SMILES for 2-(1-bromoprop-2-enyl)pyridine is C=CC(Br)c1ccccn1.
What is the InChIKey of 2-(1-bromoprop-2-enyl)pyridine?
The InChIKey is ZVRDNAPGNFVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c1-2-7(9)8-5-3-4-6-10-8/h2-7H,1H2.
What are the key properties of 2-(1-bromoprop-2-enyl)pyridine?
2-(1-bromoprop-2-enyl)pyridine has a molecular weight of 198.06 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoprop-2-enyl)pyridine is sourced from PubChem (CID 70499448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).