1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid

C15H9NO4 — CID 139935024

IUPAC1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1oc(=O)c2cnccc2c1-c1ccccc1
InChIInChI=1S/C15H9NO4/c17-14(18)13-12(9-4-2-1-3-5-9)10-6-7-16-8-11(10)15(19)20-13/h1-8H,(H,17,18)
InChIKeyBWJIMJVMUNZVTR-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.55
Rot. Bonds2

About 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid

1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid (PubChem CID 139935024) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid
PubChem CID139935024
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1oc(=O)c2cnccc2c1-c1ccccc1
InChIInChI=1S/C15H9NO4/c17-14(18)13-12(9-4-2-1-3-5-9)10-6-7-16-8-11(10)15(19)20-13/h1-8H,(H,17,18)
InChIKeyBWJIMJVMUNZVTR-UHFFFAOYSA-N
XLogP2.55
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylfuro[3,2-c]pyridine-2-carboxylic acid
CID 69268109
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
furo[3,4-c]pyridine-1,3-dicarboxamide
CID 119091169
N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
CID 12005263
N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4069125
[1,4]benzodioxino[2,3-f]isoquinoline-5,6-dicarboxylic acid
CID 70197363
2-methyl-1,4-diphenyl-2,6-naphthyridin-3-one
CID 73292679
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4660207
4-phenyl-3-(trifluoromethyl)isochromen-1-one
CID 162572889
3-ethylfuro[3,2-c]pyridine-2-carboxylic acid
CID 84663055
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268

Frequently Asked Questions

What is the IUPAC name of 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid (CID 139935024) is 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid is O=C(O)c1oc(=O)c2cnccc2c1-c1ccccc1.
What is the InChIKey of 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is BWJIMJVMUNZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-14(18)13-12(9-4-2-1-3-5-9)10-6-7-16-8-11(10)15(19)20-13/h1-8H,(H,17,18).
What are the key properties of 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid?
1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4-phenylpyrano[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 139935024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).