methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate

C8H7N3O3 — CID 139026429

IUPACmethyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cncc2[nH]c(=O)[nH]c12
InChIInChI=1S/C8H7N3O3/c1-14-7(12)4-2-9-3-5-6(4)11-8(13)10-5/h2-3H,1H3,(H2,10,11,13)
InChIKeyZNBRIZGZIJVKDB-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.04
Rot. Bonds1

About methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate

methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate (PubChem CID 139026429) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
PubChem CID139026429
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Namemethyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cncc2[nH]c(=O)[nH]c12
InChIInChI=1S/C8H7N3O3/c1-14-7(12)4-2-9-3-5-6(4)11-8(13)10-5/h2-3H,1H3,(H2,10,11,13)
InChIKeyZNBRIZGZIJVKDB-UHFFFAOYSA-N
XLogP0.04
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate (CID 139026429) is methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate is COC(=O)c1cncc2[nH]c(=O)[nH]c12.
What is the InChIKey of methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate?
The InChIKey is ZNBRIZGZIJVKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-7(12)4-2-9-3-5-6(4)11-8(13)10-5/h2-3H,1H3,(H2,10,11,13).
What are the key properties of methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate?
methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate has a molecular weight of 193.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 139026429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).