8-methylchromeno[4,3-b]pyridin-5-one

C13H9NO2 — CID 159288249

IUPAC8-methylchromeno[4,3-b]pyridin-5-one
SMILESCc1ccc2c(c1)oc(=O)c1cccnc12
InChIInChI=1S/C13H9NO2/c1-8-4-5-9-11(7-8)16-13(15)10-3-2-6-14-12(9)10/h2-7H,1H3
InChIKeyFIOUJLLHBCERJL-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.65
Rot. Bonds

About 8-methylchromeno[4,3-b]pyridin-5-one

8-methylchromeno[4,3-b]pyridin-5-one (PubChem CID 159288249) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 8-methylchromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name8-methylchromeno[4,3-b]pyridin-5-one
PubChem CID159288249
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name8-methylchromeno[4,3-b]pyridin-5-one
SMILESCc1ccc2c(c1)oc(=O)c1cccnc12
InChIInChI=1S/C13H9NO2/c1-8-4-5-9-11(7-8)16-13(15)10-3-2-6-14-12(9)10/h2-7H,1H3
InChIKeyFIOUJLLHBCERJL-UHFFFAOYSA-N
XLogP2.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(5-chloroquinolin-8-yl) 3-(4,7-dimethyl-2-oxochromen-3-yl)propanoate
CID 34808901
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
CID 134693453
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
CID 167663656
4-hydroxy-3-[(4-hydroxy-7-methyl-2-oxochromen-3-yl)-quinolin-4-ylmethyl]-7-methylchromen-2-one
CID 59746728
chromeno[3,4-b]pyrazin-5-one
CID 691239
5-(4-methylphenyl)pyrido[3,2-d]oxazin-8-one
CID 10561894
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one
CID 167663655
17-methyl-12,20-dioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaen-21-one
CID 118531175

Frequently Asked Questions

What is the IUPAC name of 8-methylchromeno[4,3-b]pyridin-5-one?
The IUPAC name of 8-methylchromeno[4,3-b]pyridin-5-one (CID 159288249) is 8-methylchromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 8-methylchromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 8-methylchromeno[4,3-b]pyridin-5-one is Cc1ccc2c(c1)oc(=O)c1cccnc12.
What is the InChIKey of 8-methylchromeno[4,3-b]pyridin-5-one?
The InChIKey is FIOUJLLHBCERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-8-4-5-9-11(7-8)16-13(15)10-3-2-6-14-12(9)10/h2-7H,1H3.
What are the key properties of 8-methylchromeno[4,3-b]pyridin-5-one?
8-methylchromeno[4,3-b]pyridin-5-one has a molecular weight of 211.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylchromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 159288249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).