7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one

C17H15NO3 — CID 25225437

IUPAC7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one
SMILESCc1cccc(CCc2cc(=O)oc3cc(O)ccc23)n1
InChIInChI=1S/C17H15NO3/c1-11-3-2-4-13(18-11)6-5-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-4,7-10,19H,5-6H2,1H3
InChIKeyLDCRVNBWINORDP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.99
Rot. Bonds3

About 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one

7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one (PubChem CID 25225437) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one
PubChem CID25225437
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one
SMILESCc1cccc(CCc2cc(=O)oc3cc(O)ccc23)n1
InChIInChI=1S/C17H15NO3/c1-11-3-2-4-13(18-11)6-5-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-4,7-10,19H,5-6H2,1H3
InChIKeyLDCRVNBWINORDP-UHFFFAOYSA-N
XLogP2.99
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one (CID 25225437) is 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one is Cc1cccc(CCc2cc(=O)oc3cc(O)ccc23)n1.
What is the InChIKey of 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one?
The InChIKey is LDCRVNBWINORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-3-2-4-13(18-11)6-5-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-4,7-10,19H,5-6H2,1H3.
What are the key properties of 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one?
7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[2-(6-methyl-2-pyridinyl)ethyl]chromen-2-one is sourced from PubChem (CID 25225437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).