[(5-bromo-2-pyridinyl)amino]urea

C6H7BrN4O — CID 130626897

IUPAC[(5-bromo-2-pyridinyl)amino]urea
SMILESNC(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN4O/c7-4-1-2-5(9-3-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12)
InChIKeyIDBBMYZSQJDAEV-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.84
Rot. Bonds2

About [(5-bromo-2-pyridinyl)amino]urea

[(5-bromo-2-pyridinyl)amino]urea (PubChem CID 130626897) has the molecular formula C6H7BrN4O and a molecular weight of 231.05 g/mol. Its IUPAC name is [(5-bromo-2-pyridinyl)amino]urea.

Molecular Properties

Compound Name[(5-bromo-2-pyridinyl)amino]urea
PubChem CID130626897
Molecular FormulaC6H7BrN4O
Molecular Weight231.05 g/mol
Exact Mass229.98
IUPAC Name[(5-bromo-2-pyridinyl)amino]urea
SMILESNC(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN4O/c7-4-1-2-5(9-3-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12)
InChIKeyIDBBMYZSQJDAEV-UHFFFAOYSA-N
XLogP0.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
CID 66849873
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
CID 1070867
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
N-(5-bromo-2-pyridinyl)nitramide
CID 1237179
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
1-(4-aminophenyl)-3-(5-bromo-2-pyridinyl)urea
CID 108897086
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
N-(5-bromo-2-pyridinyl)formamide
CID 3267780

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-pyridinyl)amino]urea?
The IUPAC name of [(5-bromo-2-pyridinyl)amino]urea (CID 130626897) is [(5-bromo-2-pyridinyl)amino]urea.
What is the SMILES notation for [(5-bromo-2-pyridinyl)amino]urea?
The canonical SMILES for [(5-bromo-2-pyridinyl)amino]urea is NC(=O)NNc1ccc(Br)cn1.
What is the InChIKey of [(5-bromo-2-pyridinyl)amino]urea?
The InChIKey is IDBBMYZSQJDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4O/c7-4-1-2-5(9-3-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12).
What are the key properties of [(5-bromo-2-pyridinyl)amino]urea?
[(5-bromo-2-pyridinyl)amino]urea has a molecular weight of 231.05 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-pyridinyl)amino]urea is sourced from PubChem (CID 130626897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).