1-(5-bromo-2-pyridinyl)-3-ethenylurea

C8H8BrN3O — CID 108909365

IUPAC1-(5-bromo-2-pyridinyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13)
InChIKeyTZDVJHVVVZZMLW-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-ethenylurea

1-(5-bromo-2-pyridinyl)-3-ethenylurea (PubChem CID 108909365) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-ethenylurea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-ethenylurea
PubChem CID108909365
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name1-(5-bromo-2-pyridinyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13)
InChIKeyTZDVJHVVVZZMLW-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-ethenylurea
CID 108909366
1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
CID 108910850
1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
CID 108910477
1-(5-bromo-2-pyridinyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903794
1-(4-aminophenyl)-3-(5-bromo-2-pyridinyl)urea
CID 108897086
1-(5-bromo-2-pyridinyl)-3-(4-methylsulfanylphenyl)urea
CID 4525205
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea
CID 108814254
1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
CID 20886027
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethenylurea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethenylurea (CID 108909365) is 1-(5-bromo-2-pyridinyl)-3-ethenylurea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-ethenylurea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-ethenylurea is C=CNC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-ethenylurea?
The InChIKey is TZDVJHVVVZZMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-ethenylurea?
1-(5-bromo-2-pyridinyl)-3-ethenylurea has a molecular weight of 242.08 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-ethenylurea is sourced from PubChem (CID 108909365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).