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

C9H9N3O2 — CID 18537904

IUPACethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyIRKUAHWNUMPODE-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds2

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

ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 18537904) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID18537904
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyIRKUAHWNUMPODE-UHFFFAOYSA-N
XLogP1.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate (CID 18537904) is ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate is CCOC(=O)c1nc2ccncc2[nH]1.
What is the InChIKey of ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is IRKUAHWNUMPODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate?
ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 18537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).