2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride

C14H11ClN2O2 — CID 67107026

IUPAC2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.Nc1ccc(-c2cc(=O)c3cccnc3o2)cc1
InChIInChI=1S/C14H10N2O2.ClH/c15-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-16-14(11)18-13;/h1-8H,15H2;1H
InChIKeyQGNFWDYYVFPNIZ-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.86
Rot. Bonds1

About 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride

2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride (PubChem CID 67107026) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
PubChem CID67107026
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.Nc1ccc(-c2cc(=O)c3cccnc3o2)cc1
InChIInChI=1S/C14H10N2O2.ClH/c15-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-16-14(11)18-13;/h1-8H,15H2;1H
InChIKeyQGNFWDYYVFPNIZ-UHFFFAOYSA-N
XLogP2.86
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride (CID 67107026) is 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride is Cl.Nc1ccc(-c2cc(=O)c3cccnc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The InChIKey is QGNFWDYYVFPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.ClH/c15-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-16-14(11)18-13;/h1-8H,15H2;1H.
What are the key properties of 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride has a molecular weight of 274.71 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)pyrano[2,3-b]pyridin-4-one;hydrochloride is sourced from PubChem (CID 67107026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).