1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea

C13H12BrN3O2 — CID 108866585

IUPAC1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-5-3-2-4-10(11)16-13(18)17-12-8-9(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyRKSAWWZSIRYEDB-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.50
Rot. Bonds3

About 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea

1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea (PubChem CID 108866585) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
PubChem CID108866585
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-5-3-2-4-10(11)16-13(18)17-12-8-9(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyRKSAWWZSIRYEDB-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868113
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
N-(2-methoxyphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000000
1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
CID 113338786
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(4-bromo-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892659
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea (CID 108866585) is 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea?
The InChIKey is RKSAWWZSIRYEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-11-5-3-2-4-10(11)16-13(18)17-12-8-9(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea?
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea has a molecular weight of 322.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 108866585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).