8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid

C14H9ClN2O5 — CID 20561041

IUPAC8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCONc1nc2c(=O)c3cc(Cl)ccc3oc2cc1C(=O)O
InChIInChI=1S/C14H9ClN2O5/c1-21-17-13-8(14(19)20)5-10-11(16-13)12(18)7-4-6(15)2-3-9(7)22-10/h2-5H,1H3,(H,16,17)(H,19,20)
InChIKeyCHXKFYYLVQJIFE-UHFFFAOYSA-N
MW320.69 g/mol
LogP2.67
Rot. Bonds3

About 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid

8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 20561041) has the molecular formula C14H9ClN2O5 and a molecular weight of 320.69 g/mol. Its IUPAC name is 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID20561041
Molecular FormulaC14H9ClN2O5
Molecular Weight320.69 g/mol
Exact Mass320.02
IUPAC Name8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCONc1nc2c(=O)c3cc(Cl)ccc3oc2cc1C(=O)O
InChIInChI=1S/C14H9ClN2O5/c1-21-17-13-8(14(19)20)5-10-11(16-13)12(18)7-4-6(15)2-3-9(7)22-10/h2-5H,1H3,(H,16,17)(H,19,20)
InChIKeyCHXKFYYLVQJIFE-UHFFFAOYSA-N
XLogP2.67
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 52.67
H-Bond Donors ≤ 52
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 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid (CID 20561041) is 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid is CONc1nc2c(=O)c3cc(Cl)ccc3oc2cc1C(=O)O.
What is the InChIKey of 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is CHXKFYYLVQJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5/c1-21-17-13-8(14(19)20)5-10-11(16-13)12(18)7-4-6(15)2-3-9(7)22-10/h2-5H,1H3,(H,16,17)(H,19,20).
What are the key properties of 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid?
8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 320.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 20561041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).