8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid

C18H15NO7 — CID 11152505

IUPAC8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid
SMILESCOc1cc(-c2c(C(=O)O)oc(=O)c3ncccc23)cc(OC)c1OC
InChIInChI=1S/C18H15NO7/c1-23-11-7-9(8-12(24-2)15(11)25-3)13-10-5-4-6-19-14(10)18(22)26-16(13)17(20)21/h4-8H,1-3H3,(H,20,21)
InChIKeyGPXMPSLSDPMQKK-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.58
Rot. Bonds5

About 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid

8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid (PubChem CID 11152505) has the molecular formula C18H15NO7 and a molecular weight of 357.32 g/mol. Its IUPAC name is 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid
PubChem CID11152505
Molecular FormulaC18H15NO7
Molecular Weight357.32 g/mol
Exact Mass357.08
IUPAC Name8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid
SMILESCOc1cc(-c2c(C(=O)O)oc(=O)c3ncccc23)cc(OC)c1OC
InChIInChI=1S/C18H15NO7/c1-23-11-7-9(8-12(24-2)15(11)25-3)13-10-5-4-6-19-14(10)18(22)26-16(13)17(20)21/h4-8H,1-3H3,(H,20,21)
InChIKeyGPXMPSLSDPMQKK-UHFFFAOYSA-N
XLogP2.58
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylphenyl)-8-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrano[3,4-b]pyridine-6-carboxamide
CID 18387225
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
N-[(3,5-dimethylphenyl)methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
CID 139935058
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 57210364
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate
CID 4749807
5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
CID 142849594
5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid
CID 151052799

Frequently Asked Questions

What is the IUPAC name of 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid (CID 11152505) is 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid is COc1cc(-c2c(C(=O)O)oc(=O)c3ncccc23)cc(OC)c1OC.
What is the InChIKey of 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is GPXMPSLSDPMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7/c1-23-11-7-9(8-12(24-2)15(11)25-3)13-10-5-4-6-19-14(10)18(22)26-16(13)17(20)21/h4-8H,1-3H3,(H,20,21).
What are the key properties of 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid?
8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 357.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 11152505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).