ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate

C11H12ClN3O2 — CID 10264278

IUPACethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(nc(C)n2C)c1Cl
InChIInChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-9(8(7)12)14-6(2)15(10)3/h5H,4H2,1-3H3
InChIKeyAMJUVLNZQUKSEJ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.11
Rot. Bonds2

About ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate

ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 10264278) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID10264278
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nameethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(nc(C)n2C)c1Cl
InChIInChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-9(8(7)12)14-6(2)15(10)3/h5H,4H2,1-3H3
InChIKeyAMJUVLNZQUKSEJ-UHFFFAOYSA-N
XLogP2.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
CID 18342946
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 4-chloro-1-[tri(propan-2-yl)-λ4-sulfanyl]pyrrolo[2,3-b]pyridine-5-carboxylate
CID 137466155
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
CID 176685506

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate (CID 10264278) is ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2c(nc(C)n2C)c1Cl.
What is the InChIKey of ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is AMJUVLNZQUKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-9(8(7)12)14-6(2)15(10)3/h5H,4H2,1-3H3.
What are the key properties of ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate?
ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 10264278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).