methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate

C8H7N3O2 — CID 139930692

IUPACmethyl 7H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)C1=CN=C2C(=NC=N2)C1
InChIInChI=1S/C8H7N3O2/c1-13-8(12)5-2-6-7(9-3-5)11-4-10-6/h3-4H,2H2,1H3
InChIKeySEMNMPYPEZRUQX-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.60
Rot. Bonds2

About methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate

methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 139930692) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7H-imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID139930692
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl 7H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)C1=CN=C2C(=NC=N2)C1
InChIInChI=1S/C8H7N3O2/c1-13-8(12)5-2-6-7(9-3-5)11-4-10-6/h3-4H,2H2,1H3
InChIKeySEMNMPYPEZRUQX-UHFFFAOYSA-N
XLogP-0.60
TPSA63.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate (CID 139930692) is methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate is COC(=O)C1=CN=C2C(=NC=N2)C1.
What is the InChIKey of methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SEMNMPYPEZRUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)5-2-6-7(9-3-5)11-4-10-6/h3-4H,2H2,1H3.
What are the key properties of methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate?
methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 177.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 139930692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).