1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid

C10H11NO4 — CID 105462628

IUPAC1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CCOC2
InChIInChI=1S/C10H11NO4/c1-11-8-5-15-3-2-6(8)4-7(9(11)12)10(13)14/h4H,2-3,5H2,1H3,(H,13,14)
InChIKeyHHRMLTMTPWRREB-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.16
Rot. Bonds1

About 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid

1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid (PubChem CID 105462628) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid
PubChem CID105462628
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CCOC2
InChIInChI=1S/C10H11NO4/c1-11-8-5-15-3-2-6(8)4-7(9(11)12)10(13)14/h4H,2-3,5H2,1H3,(H,13,14)
InChIKeyHHRMLTMTPWRREB-UHFFFAOYSA-N
XLogP0.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 105461542
3-(aminomethyl)-1-methyl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-2-one
CID 105461771
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 70753246
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 72845219
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
CID 82406699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid (CID 105462628) is 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid is Cn1c2c(cc(C(=O)O)c1=O)CCOC2.
What is the InChIKey of 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is HHRMLTMTPWRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11-8-5-15-3-2-6(8)4-7(9(11)12)10(13)14/h4H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid?
1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 105462628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).