(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea

C12H10ClN3O3 — CID 134122590

IUPAC(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea
SMILESO=C(/N=c1/ccn(O)c(Cl)c1)Nc1ccc(O)cc1
InChIInChI=1S/C12H10ClN3O3/c13-11-7-9(5-6-16(11)19)15-12(18)14-8-1-3-10(17)4-2-8/h1-7,17,19H,(H,14,18)/b15-9-
InChIKeyFUNMPSURGIRFQA-DHDCSXOGSA-N
MW279.68 g/mol
LogP2.22
Rot. Bonds1

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

(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea (PubChem CID 134122590) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea
PubChem CID134122590
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea
SMILESO=C(/N=c1/ccn(O)c(Cl)c1)Nc1ccc(O)cc1
InChIInChI=1S/C12H10ClN3O3/c13-11-7-9(5-6-16(11)19)15-12(18)14-8-1-3-10(17)4-2-8/h1-7,17,19H,(H,14,18)/b15-9-
InChIKeyFUNMPSURGIRFQA-DHDCSXOGSA-N
XLogP2.22
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
CID 54569889
1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
CID 134095263
N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide
CID 134114175
(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134095397
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
CID 59006143
CID 59006143
N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
CID 871568

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea?
The IUPAC name of (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea (CID 134122590) is (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea is O=C(/N=c1/ccn(O)c(Cl)c1)Nc1ccc(O)cc1.
What is the InChIKey of (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea?
The InChIKey is FUNMPSURGIRFQA-DHDCSXOGSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-11-7-9(5-6-16(11)19)15-12(18)14-8-1-3-10(17)4-2-8/h1-7,17,19H,(H,14,18)/b15-9-.
What are the key properties of (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea?
(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea has a molecular weight of 279.68 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 134122590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).