4-amino-2,6-dichlorophenol;urea

C7H9Cl2N3O2 — CID 154637850

IUPAC4-amino-2,6-dichlorophenol;urea
SMILESNC(N)=O.Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO.CH4N2O/c7-4-1-3(9)2-5(8)6(4)10;2-1(3)4/h1-2,10H,9H2;(H4,2,3,4)
InChIKeyKMSXKVBXGKFXTQ-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.30
Rot. Bonds

About 4-amino-2,6-dichlorophenol;urea

4-amino-2,6-dichlorophenol;urea (PubChem CID 154637850) has the molecular formula C7H9Cl2N3O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 4-amino-2,6-dichlorophenol;urea.

Molecular Properties

Compound Name4-amino-2,6-dichlorophenol;urea
PubChem CID154637850
Molecular FormulaC7H9Cl2N3O2
Molecular Weight238.07 g/mol
Exact Mass237.01
IUPAC Name4-amino-2,6-dichlorophenol;urea
SMILESNC(N)=O.Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO.CH4N2O/c7-4-1-3(9)2-5(8)6(4)10;2-1(3)4/h1-2,10H,9H2;(H4,2,3,4)
InChIKeyKMSXKVBXGKFXTQ-UHFFFAOYSA-N
XLogP1.30
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-6-ethylphenol
CID 91674507
1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
CID 171022602
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-2,3-dichlorophenol
CID 58116859
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
CID 171014015
3-(4-amino-2,6-dichlorophenoxy)propanamide
CID 43169605
3-chloro-4-hydroxy-5-iodobenzamide
CID 101017736
4,6-dichloro-5-hydroxypyridine-2-carboxamide
CID 163301134
1-(5-amino-3-chloro-2-methylphenyl)ethanone
CID 131271311
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichlorophenol;urea?
The IUPAC name of 4-amino-2,6-dichlorophenol;urea (CID 154637850) is 4-amino-2,6-dichlorophenol;urea.
What is the SMILES notation for 4-amino-2,6-dichlorophenol;urea?
The canonical SMILES for 4-amino-2,6-dichlorophenol;urea is NC(N)=O.Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichlorophenol;urea?
The InChIKey is KMSXKVBXGKFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.CH4N2O/c7-4-1-3(9)2-5(8)6(4)10;2-1(3)4/h1-2,10H,9H2;(H4,2,3,4).
What are the key properties of 4-amino-2,6-dichlorophenol;urea?
4-amino-2,6-dichlorophenol;urea has a molecular weight of 238.07 g/mol, XLogP of 1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichlorophenol;urea is sourced from PubChem (CID 154637850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).