1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea

C8H9BrClN3O2 — CID 110010971

IUPAC1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cncc(Br)c1Cl
InChIInChI=1S/C8H9BrClN3O2/c9-5-3-11-4-6(7(5)10)13-8(15)12-1-2-14/h3-4,14H,1-2H2,(H2,12,13,15)
InChIKeyXJSIJPNQONGZQS-UHFFFAOYSA-N
MW294.54 g/mol
LogP1.61
Rot. Bonds3

About 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea

1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea (PubChem CID 110010971) has the molecular formula C8H9BrClN3O2 and a molecular weight of 294.54 g/mol. Its IUPAC name is 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea
PubChem CID110010971
Molecular FormulaC8H9BrClN3O2
Molecular Weight294.54 g/mol
Exact Mass292.96
IUPAC Name1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cncc(Br)c1Cl
InChIInChI=1S/C8H9BrClN3O2/c9-5-3-11-4-6(7(5)10)13-8(15)12-1-2-14/h3-4,14H,1-2H2,(H2,12,13,15)
InChIKeyXJSIJPNQONGZQS-UHFFFAOYSA-N
XLogP1.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
CID 119026702
1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea
CID 75509502
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea
CID 126831123
1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea
CID 167988054
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 100675837

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea (CID 110010971) is 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1cncc(Br)c1Cl.
What is the InChIKey of 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea?
The InChIKey is XJSIJPNQONGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O2/c9-5-3-11-4-6(7(5)10)13-8(15)12-1-2-14/h3-4,14H,1-2H2,(H2,12,13,15).
What are the key properties of 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea?
1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea has a molecular weight of 294.54 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110010971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).