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

C12H10ClN3O3 — CID 54569889

IUPAC1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
SMILESO=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(O)c1
InChIInChI=1S/C12H10ClN3O3/c13-11-7-9(4-5-16(11)19)15-12(18)14-8-2-1-3-10(17)6-8/h1-7,17,19H,(H,14,18)
InChIKeyHNSZBWZZLFZLMR-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.22
Rot. Bonds1

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

1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea (PubChem CID 54569889) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
PubChem CID54569889
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea
SMILESO=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(O)c1
InChIInChI=1S/C12H10ClN3O3/c13-11-7-9(4-5-16(11)19)15-12(18)14-8-2-1-3-10(17)6-8/h1-7,17,19H,(H,14,18)
InChIKeyHNSZBWZZLFZLMR-UHFFFAOYSA-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': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea (CID 54569889) is 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea is O=C(N=c1ccn(O)c(Cl)c1)Nc1cccc(O)c1.
What is the InChIKey of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea?
The InChIKey is HNSZBWZZLFZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-11-7-9(4-5-16(11)19)15-12(18)14-8-2-1-3-10(17)6-8/h1-7,17,19H,(H,14,18).
What are the key properties of 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea?
1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-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 1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 54569889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).