1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea

C12H9Cl2N3O2 — CID 54386598

IUPAC1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea
SMILESO=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-17(19)11(14)7-10/h1-7,19H,(H,15,18)
InChIKeyGOZXSLZIDQWHHL-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.16
Rot. Bonds1

About 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea

1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea (PubChem CID 54386598) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea
PubChem CID54386598
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea
SMILESO=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-17(19)11(14)7-10/h1-7,19H,(H,15,18)
InChIKeyGOZXSLZIDQWHHL-UHFFFAOYSA-N
XLogP3.16
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
CID 54569889
(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea
CID 134122590
(3-chlorophenyl)carbamoyliminocarbamic acid
CID 69123741
1-(3-chlorophenyl)-3-phenyliminourea
CID 10801288
bis((3E)-1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea);hydrate
CID 139182832
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
CID 137122963
CID 73055968
CID 73055968
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea (CID 54386598) is 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea is O=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea?
The InChIKey is GOZXSLZIDQWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-17(19)11(14)7-10/h1-7,19H,(H,15,18).
What are the key properties of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea?
1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea has a molecular weight of 298.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 54386598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).