2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C18H14N2O5 — CID 130276741

IUPAC2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4=CCOCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23)
InChIKeyRIFIXUUVXCZMHI-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130276741) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130276741
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4=CCOCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23)
InChIKeyRIFIXUUVXCZMHI-UHFFFAOYSA-N
XLogP2.43
TPSA115.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130276741) is 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(C4=CCOCC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is RIFIXUUVXCZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23).
What are the key properties of 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 338.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,6-dihydro-2H-pyran-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).