1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea

C12H10ClN3O2 — CID 108892711

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClN3O2/c13-8-1-2-11(17)10(7-8)16-12(18)15-9-3-5-14-6-4-9/h1-7,17H,(H2,14,15,16,18)
InChIKeyAJBOYCXTFREFOA-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.08
Rot. Bonds2

About 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea

1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea (PubChem CID 108892711) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
PubChem CID108892711
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClN3O2/c13-8-1-2-11(17)10(7-8)16-12(18)15-9-3-5-14-6-4-9/h1-7,17H,(H2,14,15,16,18)
InChIKeyAJBOYCXTFREFOA-UHFFFAOYSA-N
XLogP3.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfinic acid
CID 118560126
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfonyl fluoride
CID 118560117
1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886378
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
1-(5-chloro-2-hydroxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914686
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
CID 87655959
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea (CID 108892711) is 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea?
The InChIKey is AJBOYCXTFREFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-1-2-11(17)10(7-8)16-12(18)15-9-3-5-14-6-4-9/h1-7,17H,(H2,14,15,16,18).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea?
1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea has a molecular weight of 263.68 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 108892711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).