pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate

C12H8N4O2 — CID 164704440

IUPACpyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESO=C(Oc1cccnc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H8N4O2/c17-12(18-8-3-1-5-13-7-8)11-15-9-4-2-6-14-10(9)16-11/h1-7H,(H,14,15,16)
InChIKeyINEQFJPUGRVLLY-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.57
Rot. Bonds2

About pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate

pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 164704440) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
PubChem CID164704440
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Namepyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESO=C(Oc1cccnc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H8N4O2/c17-12(18-8-3-1-5-13-7-8)11-15-9-4-2-6-14-10(9)16-11/h1-7H,(H,14,15,16)
InChIKeyINEQFJPUGRVLLY-UHFFFAOYSA-N
XLogP1.57
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
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2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
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pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
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1H-imidazo[4,5-b]pyridine-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate (CID 164704440) is pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate is O=C(Oc1cccnc1)c1nc2ncccc2[nH]1.
What is the InChIKey of pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is INEQFJPUGRVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18-8-3-1-5-13-7-8)11-15-9-4-2-6-14-10(9)16-11/h1-7H,(H,14,15,16).
What are the key properties of pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate?
pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 240.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 164704440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).