2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

C16H14N2O5 — CID 20561039

IUPAC2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3cc(C(=O)O)c(NO)nc3c(=O)c2c1
InChIInChI=1S/C16H14N2O5/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(23-11)6-10(16(20)21)15(17-13)18-22/h3-7,22H,1-2H3,(H,17,18)(H,20,21)
InChIKeySIZVBAXISOVDAL-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.96
Rot. Bonds3

About 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 20561039) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID20561039
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3cc(C(=O)O)c(NO)nc3c(=O)c2c1
InChIInChI=1S/C16H14N2O5/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(23-11)6-10(16(20)21)15(17-13)18-22/h3-7,22H,1-2H3,(H,17,18)(H,20,21)
InChIKeySIZVBAXISOVDAL-UHFFFAOYSA-N
XLogP2.96
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (CID 20561039) is 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is CC(C)c1ccc2oc3cc(C(=O)O)c(NO)nc3c(=O)c2c1.
What is the InChIKey of 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is SIZVBAXISOVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(23-11)6-10(16(20)21)15(17-13)18-22/h3-7,22H,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 20561039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).