2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol

C8H10Cl2N2O2 — CID 21388699

IUPAC2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol
SMILESCNc1c(Cl)cnc(OCCO)c1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-11-7-5(9)4-12-8(6(7)10)14-3-2-13/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyOUBRMDLCRHJANT-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.80
Rot. Bonds4

About 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol

2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol (PubChem CID 21388699) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol
PubChem CID21388699
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol
SMILESCNc1c(Cl)cnc(OCCO)c1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-11-7-5(9)4-12-8(6(7)10)14-3-2-13/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyOUBRMDLCRHJANT-UHFFFAOYSA-N
XLogP1.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol (CID 21388699) is 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol is CNc1c(Cl)cnc(OCCO)c1Cl.
What is the InChIKey of 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol?
The InChIKey is OUBRMDLCRHJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-11-7-5(9)4-12-8(6(7)10)14-3-2-13/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol?
2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol has a molecular weight of 237.09 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-4-(methylamino)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 21388699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).