1-(6-chloro-2-pyridinyl)-2-methoxyethanamine

C8H11ClN2O — CID 55272790

IUPAC1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-12-5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3
InChIKeyAGSIEEJECSFZJW-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.38
Rot. Bonds3

About 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine

1-(6-chloro-2-pyridinyl)-2-methoxyethanamine (PubChem CID 55272790) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
PubChem CID55272790
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-12-5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3
InChIKeyAGSIEEJECSFZJW-UHFFFAOYSA-N
XLogP1.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 19973560
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 55292661
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 131029062
(1R)-2-methoxy-1-phenylethanamine
CID 11019045

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine (CID 55272790) is 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine is COCC(N)c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine?
The InChIKey is AGSIEEJECSFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3.
What are the key properties of 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine?
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine has a molecular weight of 186.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 55272790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).