2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C17H16N2O4 — CID 130275108

IUPAC2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)Cc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(H2,18,19)(H,21,22)
InChIKeyDGVDZGOAEAJWPC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275108) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275108
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)Cc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(H2,18,19)(H,21,22)
InChIKeyDGVDZGOAEAJWPC-UHFFFAOYSA-N
XLogP2.82
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275108) is 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is CC(C)Cc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is DGVDZGOAEAJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(H2,18,19)(H,21,22).
What are the key properties of 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-methylpropyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).