1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine

C8H10Cl2N2O — CID 79016126

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
SMILESCOCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3
InChIKeyAYTCIJWWALMRED-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.03
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine

1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine (PubChem CID 79016126) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
PubChem CID79016126
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
SMILESCOCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3
InChIKeyAYTCIJWWALMRED-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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Related Compounds

2-Methoxy-1-(pyridin-2-yl)ethan-1-amine
CID 45791144
(2-Methoxy-1-pyridin-2-ylethyl)methylamine
CID 45791145
2-Amino-2-(pyridin-2-yl)ethan-1-ol--hydrogen chloride (1/2)
CID 53407567
1-(3-Chloropyridin-2-yl)ethan-1-amine
CID 55293259
(S)-2-Amino-2-(pyridin-2-yl)ethanol dihydrochloride
CID 67033506
(1S)-1-(5-chloropyridin-2-yl)ethan-1-amine dihydrochloride
CID 75482164
(1R)-1-(5-chloropyridin-2-yl)ethan-1-amine dihydrochloride
CID 75524979
[1-(3-Chloropyridin-2-yl)ethyl](methyl)amine
CID 103845916
(S)-1-(3-Chloropyridin-2-yl)ethanamine hydrochloride
CID 118992645
(R)-1-(5-Chloropyridin-2-yl)ethanamine
CID 55264141
(1-(5-Chloropyridin-2-yl)ethyl)(ethyl)amine
CID 80218761
[1-(5-Chloropyridin-2-yl)ethyl](methyl)amine
CID 80219464

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine (CID 79016126) is 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine is COCC(N)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine?
The InChIKey is AYTCIJWWALMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine?
1-(3,5-dichloro-2-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 1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 79016126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).