1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea

C13H11BrClN3O — CID 166636734

IUPAC1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cnc(Br)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-8-4-2-3-5-11(8)18-13(19)17-9-6-10(15)12(14)16-7-9/h2-7H,1H3,(H2,17,18,19)
InChIKeyXDPTZMWILSRRHU-UHFFFAOYSA-N
MW340.61 g/mol
LogP4.45
Rot. Bonds2

About 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea

1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea (PubChem CID 166636734) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea
PubChem CID166636734
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cnc(Br)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-8-4-2-3-5-11(8)18-13(19)17-9-6-10(15)12(14)16-7-9/h2-7H,1H3,(H2,17,18,19)
InChIKeyXDPTZMWILSRRHU-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

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 71790087
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea (CID 166636734) is 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1cnc(Br)c(Cl)c1.
What is the InChIKey of 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea?
The InChIKey is XDPTZMWILSRRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-8-4-2-3-5-11(8)18-13(19)17-9-6-10(15)12(14)16-7-9/h2-7H,1H3,(H2,17,18,19).
What are the key properties of 1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea?
1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)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-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 166636734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).