1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide

C13H11Br2N3O4 — CID 172655071

IUPAC1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide
SMILESBr.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br
InChIInChI=1S/C13H10BrN3O4.BrH/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18;/h1-7,18H,(H2,15,16,19);1H
InChIKeyINPPHAPDDOHCLZ-UHFFFAOYSA-N
MW433.06 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide

1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide (PubChem CID 172655071) has the molecular formula C13H11Br2N3O4 and a molecular weight of 433.06 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide
PubChem CID172655071
Molecular FormulaC13H11Br2N3O4
Molecular Weight433.06 g/mol
Exact Mass430.91
IUPAC Name1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide
SMILESBr.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br
InChIInChI=1S/C13H10BrN3O4.BrH/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18;/h1-7,18H,(H2,15,16,19);1H
InChIKeyINPPHAPDDOHCLZ-UHFFFAOYSA-N
XLogP4.28
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.06
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sb 225002
CID 3854666
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
3-(2-Bromoanilino)-4-(2-hydroxy-4-nitroanilino)-3-cyclobutene-1,2-dione
CID 10179343
N-(2-hydroxy-4-nitrophenyl)-N'-(2-ethylphenyl)urea
CID 21184795
N-(2-hydroxy-4-nitrophenyl) N'-(2,4-dibromophenyl)urea
CID 22011336
1-(2-Bromophenyl)-2-heptan-2-yl-3-(2-hydroxy-4-nitrophenyl)guanidine
CID 44534274
N-(2-hydroxy-4-nitrophenyl)-N'-(2-fluorophenyl)urea
CID 21184605
N-(2-hydroxy 4-nitrophenyl) N'-(2-methylphenyl)urea
CID 22011319
4'-Amino-2'-hydroxycarbanilide
CID 5203163
1-(3,4-Difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226805
1-(2-Hydroxy-4-nitrophenyl)-3-(3,4,5-trifluorophenyl)urea
CID 46226827
1-(2-Hydroxy-4-nitrophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 46226843

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide?
The IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide (CID 172655071) is 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide is Br.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide?
The InChIKey is INPPHAPDDOHCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4.BrH/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18;/h1-7,18H,(H2,15,16,19);1H.
What are the key properties of 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide?
1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide has a molecular weight of 433.06 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea;hydrobromide is sourced from PubChem (CID 172655071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).