[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol

C21H20Cl2N2O2 — CID 91548233

IUPAC[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol
SMILESCc1cccc(C)c1N(C)C(O)c1cccnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-13-6-4-7-14(2)19(13)25(3)21(26)16-8-5-11-24-20(16)27-18-12-15(22)9-10-17(18)23/h4-12,21,26H,1-3H3
InChIKeyUJMYSEFZZCZIMH-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.92
Rot. Bonds5

About [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol

[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol (PubChem CID 91548233) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol
PubChem CID91548233
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol
SMILESCc1cccc(C)c1N(C)C(O)c1cccnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-13-6-4-7-14(2)19(13)25(3)21(26)16-8-5-11-24-20(16)27-18-12-15(22)9-10-17(18)23/h4-12,21,26H,1-3H3
InChIKeyUJMYSEFZZCZIMH-UHFFFAOYSA-N
XLogP5.92
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol?
The IUPAC name of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol (CID 91548233) is [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol is Cc1cccc(C)c1N(C)C(O)c1cccnc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol?
The InChIKey is UJMYSEFZZCZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-13-6-4-7-14(2)19(13)25(3)21(26)16-8-5-11-24-20(16)27-18-12-15(22)9-10-17(18)23/h4-12,21,26H,1-3H3.
What are the key properties of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol?
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol has a molecular weight of 403.31 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(N,2,6-trimethylanilino)methanol is sourced from PubChem (CID 91548233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).