3-bromo-5-prop-2-enylpyridine

C8H8BrN — CID 11321547

IUPAC3-bromo-5-prop-2-enylpyridine
SMILESC=CCc1cncc(Br)c1
InChIInChI=1S/C8H8BrN/c1-2-3-7-4-8(9)6-10-5-7/h2,4-6H,1,3H2
InChIKeyLNIRDVCXPRIWDD-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.57
Rot. Bonds2

About 3-bromo-5-prop-2-enylpyridine

3-bromo-5-prop-2-enylpyridine (PubChem CID 11321547) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 3-bromo-5-prop-2-enylpyridine.

Molecular Properties

Compound Name3-bromo-5-prop-2-enylpyridine
PubChem CID11321547
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name3-bromo-5-prop-2-enylpyridine
SMILESC=CCc1cncc(Br)c1
InChIInChI=1S/C8H8BrN/c1-2-3-7-4-8(9)6-10-5-7/h2,4-6H,1,3H2
InChIKeyLNIRDVCXPRIWDD-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(5-bromo-3-pyridinyl)hex-5-en-2-one
CID 116607112
1-(5-bromo-3-pyridinyl)-3-(prop-2-enylamino)propan-2-one
CID 116589928
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
3-prop-2-enyl-5-pyridin-2-ylpyridine
CID 91804933
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
2-(5-bromo-3-pyridinyl)ethyl methanesulfonate
CID 121413965

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-prop-2-enylpyridine?
The IUPAC name of 3-bromo-5-prop-2-enylpyridine (CID 11321547) is 3-bromo-5-prop-2-enylpyridine.
What is the SMILES notation for 3-bromo-5-prop-2-enylpyridine?
The canonical SMILES for 3-bromo-5-prop-2-enylpyridine is C=CCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-prop-2-enylpyridine?
The InChIKey is LNIRDVCXPRIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c1-2-3-7-4-8(9)6-10-5-7/h2,4-6H,1,3H2.
What are the key properties of 3-bromo-5-prop-2-enylpyridine?
3-bromo-5-prop-2-enylpyridine has a molecular weight of 198.06 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-prop-2-enylpyridine is sourced from PubChem (CID 11321547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).