1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea

C14H14BrN3O — CID 166636712

IUPAC1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(8-9)17-14(19)18-12-6-7-13(15)16-10(12)2/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyFUTPTUREJJAAMM-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.10
Rot. Bonds2

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

1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea (PubChem CID 166636712) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
PubChem CID166636712
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(8-9)17-14(19)18-12-6-7-13(15)16-10(12)2/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyFUTPTUREJJAAMM-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.10
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-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 103909587
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(5-amino-2-bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 104814730
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea (CID 166636712) is 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(Br)nc2C)c1.
What is the InChIKey of 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea?
The InChIKey is FUTPTUREJJAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-3-5-11(8-9)17-14(19)18-12-6-7-13(15)16-10(12)2/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea?
1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 166636712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).