6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

C17H11ClN2O2 — CID 3416956

IUPAC6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccc2nc(-c3cc4cc(Cl)ccc4oc3=O)cn2c1
InChIInChI=1S/C17H11ClN2O2/c1-10-2-5-16-19-14(9-20(16)8-10)13-7-11-6-12(18)3-4-15(11)22-17(13)21/h2-9H,1H3
InChIKeyNTUZSADTPHKSAT-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.07
Rot. Bonds1

About 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 3416956) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID3416956
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccc2nc(-c3cc4cc(Cl)ccc4oc3=O)cn2c1
InChIInChI=1S/C17H11ClN2O2/c1-10-2-5-16-19-14(9-20(16)8-10)13-7-11-6-12(18)3-4-15(11)22-17(13)21/h2-9H,1H3
InChIKeyNTUZSADTPHKSAT-UHFFFAOYSA-N
XLogP4.07
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 3416956) is 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is Cc1ccc2nc(-c3cc4cc(Cl)ccc4oc3=O)cn2c1.
What is the InChIKey of 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is NTUZSADTPHKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-10-2-5-16-19-14(9-20(16)8-10)13-7-11-6-12(18)3-4-15(11)22-17(13)21/h2-9H,1H3.
What are the key properties of 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 310.74 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 3416956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).