(3-methylimidazo[1,2-a]pyridin-2-yl) formate

C9H8N2O2 — CID 134462968

IUPAC(3-methylimidazo[1,2-a]pyridin-2-yl) formate
SMILESCc1c(OC=O)nc2ccccn12
InChIInChI=1S/C9H8N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h2-6H,1H3
InChIKeyWNCBKSLVLIKUOZ-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.18
Rot. Bonds2

About (3-methylimidazo[1,2-a]pyridin-2-yl) formate

(3-methylimidazo[1,2-a]pyridin-2-yl) formate (PubChem CID 134462968) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is (3-methylimidazo[1,2-a]pyridin-2-yl) formate.

Molecular Properties

Compound Name(3-methylimidazo[1,2-a]pyridin-2-yl) formate
PubChem CID134462968
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name(3-methylimidazo[1,2-a]pyridin-2-yl) formate
SMILESCc1c(OC=O)nc2ccccn12
InChIInChI=1S/C9H8N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h2-6H,1H3
InChIKeyWNCBKSLVLIKUOZ-UHFFFAOYSA-N
XLogP1.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[1,2-a]pyridin-2-yl) formate?
The IUPAC name of (3-methylimidazo[1,2-a]pyridin-2-yl) formate (CID 134462968) is (3-methylimidazo[1,2-a]pyridin-2-yl) formate.
What is the SMILES notation for (3-methylimidazo[1,2-a]pyridin-2-yl) formate?
The canonical SMILES for (3-methylimidazo[1,2-a]pyridin-2-yl) formate is Cc1c(OC=O)nc2ccccn12.
What is the InChIKey of (3-methylimidazo[1,2-a]pyridin-2-yl) formate?
The InChIKey is WNCBKSLVLIKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h2-6H,1H3.
What are the key properties of (3-methylimidazo[1,2-a]pyridin-2-yl) formate?
(3-methylimidazo[1,2-a]pyridin-2-yl) formate has a molecular weight of 176.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[1,2-a]pyridin-2-yl) formate is sourced from PubChem (CID 134462968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).