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

C13H12BrN3O2 — CID 113338786

IUPAC1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-12-5-3-2-4-11(12)17-13(18)16-10-6-9(14)7-15-8-10/h2-8H,1H3,(H2,16,17,18)
InChIKeyPRDKNNIKRNWFFO-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.50
Rot. Bonds3

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

1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea (PubChem CID 113338786) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
PubChem CID113338786
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-12-5-3-2-4-11(12)17-13(18)16-10-6-9(14)7-15-8-10/h2-8H,1H3,(H2,16,17,18)
InChIKeyPRDKNNIKRNWFFO-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-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
CID 168763596
CID 168763596
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
1-N,3-N-dihydroxy-5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-diamine oxide
CID 163123532
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea (CID 113338786) is 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea?
The InChIKey is PRDKNNIKRNWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-12-5-3-2-4-11(12)17-13(18)16-10-6-9(14)7-15-8-10/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea?
1-(5-bromo-3-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-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 113338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).