3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea

C9H12BrN3O — CID 79160439

IUPAC3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ncccc1Br
InChIInChI=1S/C9H12BrN3O/c1-3-13(2)9(14)12-8-7(10)5-4-6-11-8/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyFBYRGJSYSUPDDD-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea

3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea (PubChem CID 79160439) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
PubChem CID79160439
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ncccc1Br
InChIInChI=1S/C9H12BrN3O/c1-3-13(2)9(14)12-8-7(10)5-4-6-11-8/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyFBYRGJSYSUPDDD-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
CID 103867576
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 61375232
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
4-[(3-bromo-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 77071914
N-(3-bromo-2-pyridinyl)but-2-ynamide
CID 107987937
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
3-bromo-N-(2-ethylphenyl)pyridin-2-amine
CID 55219347
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea (CID 79160439) is 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1ncccc1Br.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The InChIKey is FBYRGJSYSUPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-3-13(2)9(14)12-8-7(10)5-4-6-11-8/h4-6H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea has a molecular weight of 258.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79160439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).