1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea

C13H11BrClN3O — CID 6469878

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-8-4-5-16-12(6-8)18-13(19)17-11-3-2-9(14)7-10(11)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyALGMWJWTYDUDRY-UHFFFAOYSA-N
MW340.61 g/mol
LogP4.45
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea

1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 6469878) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID6469878
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-8-4-5-16-12(6-8)18-13(19)17-11-3-2-9(14)7-10(11)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyALGMWJWTYDUDRY-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea (CID 6469878) is 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is ALGMWJWTYDUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-8-4-5-16-12(6-8)18-13(19)17-11-3-2-9(14)7-10(11)15/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea?
1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 340.61 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 6469878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).