5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one

C8H7BrClNO — CID 169478340

IUPAC5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1C=CCCl
InChIInChI=1S/C8H7BrClNO/c9-7-4-6(2-1-3-10)8(12)11-5-7/h1-2,4-5H,3H2,(H,11,12)
InChIKeyNZPYGTYQNFIETP-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.39
Rot. Bonds2

About 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one

5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one (PubChem CID 169478340) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one
PubChem CID169478340
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1C=CCCl
InChIInChI=1S/C8H7BrClNO/c9-7-4-6(2-1-3-10)8(12)11-5-7/h1-2,4-5H,3H2,(H,11,12)
InChIKeyNZPYGTYQNFIETP-UHFFFAOYSA-N
XLogP2.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(5-bromo-2-oxo-1H-pyridin-3-yl)but-3-enyl] ethanethioate
CID 170481200
4-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478320
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
5-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478321
3-(4-chlorobut-1-enyl)-5-nitro-1H-pyridin-2-one
CID 170499502
4-bromo-3-(3-chloroprop-1-enyl)-1H-indole
CID 169478592
4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
CID 170797647
3-aminosulfanyl-5-bromo-1H-pyridin-2-one
CID 139377338
3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enal
CID 169458878
2-bromo-5-(chloromethyl)-1H-pyridin-4-one
CID 131118774
1-(3-chloroprop-1-enyl)-2,4,5-trimethylbenzene
CID 79323104
5-(3-chloroprop-1-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 169477304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one (CID 169478340) is 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1C=CCCl.
What is the InChIKey of 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one?
The InChIKey is NZPYGTYQNFIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c9-7-4-6(2-1-3-10)8(12)11-5-7/h1-2,4-5H,3H2,(H,11,12).
What are the key properties of 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one?
5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one has a molecular weight of 248.51 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 169478340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).