2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine

C8H10Cl2N2O — CID 134466244

IUPAC2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
SMILESCOC(CN)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-7(2-11)8-5(9)3-12-4-6(8)10/h3-4,7H,2,11H2,1H3
InChIKeyXDNKNSHVKFDXAW-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.03
Rot. Bonds3

About 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine

2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine (PubChem CID 134466244) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
PubChem CID134466244
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
SMILESCOC(CN)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-7(2-11)8-5(9)3-12-4-6(8)10/h3-4,7H,2,11H2,1H3
InChIKeyXDNKNSHVKFDXAW-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine (CID 134466244) is 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine is COC(CN)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine?
The InChIKey is XDNKNSHVKFDXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-13-7(2-11)8-5(9)3-12-4-6(8)10/h3-4,7H,2,11H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine?
2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine has a molecular weight of 221.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 134466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).