2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol

C11H17ClN2O2 — CID 115665477

IUPAC2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O2/c1-16-8-6-14(5-7-15)9-10-3-2-4-11(12)13-10/h2-4,15H,5-9H2,1H3
InChIKeyCKMFZKRBAAATDD-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.18
Rot. Bonds7

About 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol

2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 115665477) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID115665477
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O2/c1-16-8-6-14(5-7-15)9-10-3-2-4-11(12)13-10/h2-4,15H,5-9H2,1H3
InChIKeyCKMFZKRBAAATDD-UHFFFAOYSA-N
XLogP1.18
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol (CID 115665477) is 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is CKMFZKRBAAATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-16-8-6-14(5-7-15)9-10-3-2-4-11(12)13-10/h2-4,15H,5-9H2,1H3.
What are the key properties of 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 244.72 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 115665477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).