1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea

C13H11BrClN3O2 — CID 1296656

IUPAC1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrClN3O2/c1-20-11-4-3-9(15)6-10(11)17-13(19)18-12-5-2-8(14)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyKCIQJNQNZPMFAT-UHFFFAOYSA-N
MW356.61 g/mol
LogP4.15
Rot. Bonds3

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

1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea (PubChem CID 1296656) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea
PubChem CID1296656
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrClN3O2/c1-20-11-4-3-9(15)6-10(11)17-13(19)18-12-5-2-8(14)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyKCIQJNQNZPMFAT-UHFFFAOYSA-N
XLogP4.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 54.15
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-(5-chloro-2-methoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea (CID 1296656) is 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea?
The InChIKey is KCIQJNQNZPMFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c1-20-11-4-3-9(15)6-10(11)17-13(19)18-12-5-2-8(14)7-16-12/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea?
1-(5-bromo-2-pyridinyl)-3-(5-chloro-2-methoxyphenyl)urea has a molecular weight of 356.61 g/mol, XLogP of 4.15, 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-(5-chloro-2-methoxyphenyl)urea is sourced from PubChem (CID 1296656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).