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

C12H10ClN3O2 — CID 134095263

IUPAC1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
SMILESO=C(N=c1ccn(O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2/c13-9-1-3-10(4-2-9)14-12(17)15-11-5-7-16(18)8-6-11/h1-8,18H,(H,14,17)
InChIKeyCTWWFTIWSBLSFV-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.51
Rot. Bonds1

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

1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea (PubChem CID 134095263) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
PubChem CID134095263
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
SMILESO=C(N=c1ccn(O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2/c13-9-1-3-10(4-2-9)14-12(17)15-11-5-7-16(18)8-6-11/h1-8,18H,(H,14,17)
InChIKeyCTWWFTIWSBLSFV-UHFFFAOYSA-N
XLogP2.51
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
(1Z)-1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(4-hydroxyphenyl)urea
CID 134122590
(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 135795638
(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea
CID 134114156
1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
CID 54569889
(3E)-1-(4-chlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea
CID 171977613
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134095397

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea (CID 134095263) is 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea is O=C(N=c1ccn(O)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea?
The InChIKey is CTWWFTIWSBLSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-1-3-10(4-2-9)14-12(17)15-11-5-7-16(18)8-6-11/h1-8,18H,(H,14,17).
What are the key properties of 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea?
1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea has a molecular weight of 263.68 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea is sourced from PubChem (CID 134095263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).