ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate

C9H13N3O2 — CID 18537976

IUPACethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKeyGIYXBZCPRWYODH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.23
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate

ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 18537976) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID18537976
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKeyGIYXBZCPRWYODH-UHFFFAOYSA-N
XLogP0.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 18537975
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate
CID 71742132
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate dihydrochloride
CID 71742131
methyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 137964366
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylic acid;hydrochloride
CID 178317019
5-(isopropoxyacetyl)-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 131913005
methyl 1-methyl-5-(5,5,5-trifluoropentyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170734815
methyl 5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735030
methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735040
methyl 5-(3-fluoropropyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735198
methyl 1-methyl-5-(4,4,4-trifluorobutyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735314
methyl 1-methyl-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735393

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate (CID 18537976) is ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate is CCOC(=O)c1nc2c([nH]1)CNCC2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is GIYXBZCPRWYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h10H,2-5H2,1H3,(H,11,12).
What are the key properties of ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate?
ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 18537976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).