1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea

C10H12BrN3O — CID 108910850

IUPAC1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
SMILESCC/C=C/NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O/c1-2-3-6-12-10(15)14-9-5-4-8(11)7-13-9/h3-7H,2H2,1H3,(H2,12,13,14,15)/b6-3+
InChIKeyMHYHIMWPZIMDNJ-ZZXKWVIFSA-N
MW270.13 g/mol
LogP2.89
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea

1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea (PubChem CID 108910850) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
PubChem CID108910850
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
SMILESCC/C=C/NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O/c1-2-3-6-12-10(15)14-9-5-4-8(11)7-13-9/h3-7H,2H2,1H3,(H2,12,13,14,15)/b6-3+
InChIKeyMHYHIMWPZIMDNJ-ZZXKWVIFSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 108909365
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1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
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(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
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N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
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N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
1-(4-aminophenyl)-3-(5-bromo-2-pyridinyl)urea
CID 108897086
1-(5-bromo-2-pyridinyl)-3-propylthiourea
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CID 108868273

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea (CID 108910850) is 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea is CC/C=C/NC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea?
The InChIKey is MHYHIMWPZIMDNJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-2-3-6-12-10(15)14-9-5-4-8(11)7-13-9/h3-7H,2H2,1H3,(H2,12,13,14,15)/b6-3+.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea?
1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea has a molecular weight of 270.13 g/mol, XLogP of 2.89, 3 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-[(E)-but-1-enyl]urea is sourced from PubChem (CID 108910850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).