1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea

C14H14BrN3O2 — CID 971034

IUPAC1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O2/c1-9-3-5-12(20-2)11(7-9)17-14(19)18-13-6-4-10(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyYQLUTFOWIIIASF-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.81
Rot. Bonds3

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

1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 971034) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID971034
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O2/c1-9-3-5-12(20-2)11(7-9)17-14(19)18-13-6-4-10(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyYQLUTFOWIIIASF-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea (CID 971034) is 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is YQLUTFOWIIIASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-3-5-12(20-2)11(7-9)17-14(19)18-13-6-4-10(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 336.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 971034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).