(4-chloroanilino)urea;pyridine

C12H13ClN4O — CID 174954137

IUPAC(4-chloroanilino)urea;pyridine
SMILESNC(=O)NNc1ccc(Cl)cc1.c1ccncc1
InChIInChI=1S/C7H8ClN3O.C5H5N/c8-5-1-3-6(4-2-5)10-11-7(9)12;1-2-4-6-5-3-1/h1-4,10H,(H3,9,11,12);1-5H
InChIKeyGRYACTOAYMZHBL-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.42
Rot. Bonds2

About (4-chloroanilino)urea;pyridine

(4-chloroanilino)urea;pyridine (PubChem CID 174954137) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is (4-chloroanilino)urea;pyridine.

Molecular Properties

Compound Name(4-chloroanilino)urea;pyridine
PubChem CID174954137
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name(4-chloroanilino)urea;pyridine
SMILESNC(=O)NNc1ccc(Cl)cc1.c1ccncc1
InChIInChI=1S/C7H8ClN3O.C5H5N/c8-5-1-3-6(4-2-5)10-11-7(9)12;1-2-4-6-5-3-1/h1-4,10H,(H3,9,11,12);1-5H
InChIKeyGRYACTOAYMZHBL-UHFFFAOYSA-N
XLogP2.42
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloroanilino)urea;pyridine?
The IUPAC name of (4-chloroanilino)urea;pyridine (CID 174954137) is (4-chloroanilino)urea;pyridine.
What is the SMILES notation for (4-chloroanilino)urea;pyridine?
The canonical SMILES for (4-chloroanilino)urea;pyridine is NC(=O)NNc1ccc(Cl)cc1.c1ccncc1.
What is the InChIKey of (4-chloroanilino)urea;pyridine?
The InChIKey is GRYACTOAYMZHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O.C5H5N/c8-5-1-3-6(4-2-5)10-11-7(9)12;1-2-4-6-5-3-1/h1-4,10H,(H3,9,11,12);1-5H.
What are the key properties of (4-chloroanilino)urea;pyridine?
(4-chloroanilino)urea;pyridine has a molecular weight of 264.72 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroanilino)urea;pyridine is sourced from PubChem (CID 174954137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).