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=C2N=CN=C2C1
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
LogP0.33
Rot. Bonds1

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=C2N=CN=C2C1
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
XLogP0.33
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 139418915
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methyl (2E,8E)-10-amino-4,5,6,7-tetrahydroazecine-3-carboxylate
CID 129127714
methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
CID 173297533
5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
CID 23001196
methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
CID 175387361
methyl 4-aminopyridazine-3-carboxylate
CID 166610770
methyl 4-methyl-1H-indene-2-carboxylate
CID 154531762
methyl 1,2-thiazole-4-carboxylate
CID 69051281
methyl 5,8-dihydroxy-1,4-dihydronaphthalene-2-carboxylate
CID 121000819
methyl 1-methyl-2H-pyrazine-3-carboxylate
CID 123368742
methyl 4-(bromomethyl)cyclohexa-1,3-diene-1-carboxylate
CID 143221663

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=C2N=CN=C2C1.
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 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 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).