2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

C12H17ClN4O — CID 82143988

IUPAC2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCCc1nc2cc(Cl)cnc2n1CCOCCN
InChIInChI=1S/C12H17ClN4O/c1-2-11-16-10-7-9(13)8-15-12(10)17(11)4-6-18-5-3-14/h7-8H,2-6,14H2,1H3
InChIKeyBPDQHBSSDACMFW-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (PubChem CID 82143988) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
PubChem CID82143988
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCCc1nc2cc(Cl)cnc2n1CCOCCN
InChIInChI=1S/C12H17ClN4O/c1-2-11-16-10-7-9(13)8-15-12(10)17(11)4-6-18-5-3-14/h7-8H,2-6,14H2,1H3
InChIKeyBPDQHBSSDACMFW-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (CID 82143988) is 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is CCc1nc2cc(Cl)cnc2n1CCOCCN.
What is the InChIKey of 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The InChIKey is BPDQHBSSDACMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-11-16-10-7-9(13)8-15-12(10)17(11)4-6-18-5-3-14/h7-8H,2-6,14H2,1H3.
What are the key properties of 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine has a molecular weight of 268.75 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is sourced from PubChem (CID 82143988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).