6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine

C12H16ClN3O2 — CID 141490565

IUPAC6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2cc(Cl)cnc2n1C
InChIInChI=1S/C12H16ClN3O2/c1-4-17-12(18-5-2)11-15-9-6-8(13)7-14-10(9)16(11)3/h6-7,12H,4-5H2,1-3H3
InChIKeyVJOGHKROXZEUPD-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.69
Rot. Bonds5

About 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine

6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine (PubChem CID 141490565) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine
PubChem CID141490565
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2cc(Cl)cnc2n1C
InChIInChI=1S/C12H16ClN3O2/c1-4-17-12(18-5-2)11-15-9-6-8(13)7-14-10(9)16(11)3/h6-7,12H,4-5H2,1-3H3
InChIKeyVJOGHKROXZEUPD-UHFFFAOYSA-N
XLogP2.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 84688903
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CID 106005185
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
CID 82152005
6-chloro-2-(1-chloroethyl)-3-(3-ethylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 114248555
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
CID 106004677
6-chloro-2-(1-chloroethyl)-3-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 83017147
4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151478
2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
CID 106240505
3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420154
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
CID 113475680
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988
3-(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanethioamide
CID 82151779

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine (CID 141490565) is 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine is CCOC(OCC)c1nc2cc(Cl)cnc2n1C.
What is the InChIKey of 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is VJOGHKROXZEUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-4-17-12(18-5-2)11-15-9-6-8(13)7-14-10(9)16(11)3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine?
6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 269.73 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 141490565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).