1-(2-bromo-4-pyridinyl)-3-ethylurea

C8H10BrN3O — CID 130673791

IUPAC1-(2-bromo-4-pyridinyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c1-2-10-8(13)12-6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H2,10,11,12,13)
InChIKeyOTSQGLKLCOHFTJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-bromo-4-pyridinyl)-3-ethylurea

1-(2-bromo-4-pyridinyl)-3-ethylurea (PubChem CID 130673791) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-3-ethylurea
PubChem CID130673791
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name1-(2-bromo-4-pyridinyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c1-2-10-8(13)12-6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H2,10,11,12,13)
InChIKeyOTSQGLKLCOHFTJ-UHFFFAOYSA-N
XLogP1.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
1-(2-bromo-4-pyridinyl)-3-(2-fluoro-3-methylphenyl)urea;methane
CID 167683559
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
CID 155390784
1-(2-bromo-4-pyridinyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854356
N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
CID 59276950
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-3-ethylurea?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-3-ethylurea (CID 130673791) is 1-(2-bromo-4-pyridinyl)-3-ethylurea.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-3-ethylurea?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-3-ethylurea is CCNC(=O)Nc1ccnc(Br)c1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-3-ethylurea?
The InChIKey is OTSQGLKLCOHFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-2-10-8(13)12-6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 1-(2-bromo-4-pyridinyl)-3-ethylurea?
1-(2-bromo-4-pyridinyl)-3-ethylurea has a molecular weight of 244.09 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)-3-ethylurea is sourced from PubChem (CID 130673791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).