2-(pyridin-4-ylmethyl)chromen-4-one

C15H11NO2 — CID 127028500

IUPAC2-(pyridin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(Cc2ccncc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c17-14-10-12(9-11-5-7-16-8-6-11)18-15-4-2-1-3-13(14)15/h1-8,10H,9H2
InChIKeyMMRWEOIBRCKBDK-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.78
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)chromen-4-one

2-(pyridin-4-ylmethyl)chromen-4-one (PubChem CID 127028500) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)chromen-4-one
PubChem CID127028500
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(pyridin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(Cc2ccncc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c17-14-10-12(9-11-5-7-16-8-6-11)18-15-4-2-1-3-13(14)15/h1-8,10H,9H2
InChIKeyMMRWEOIBRCKBDK-UHFFFAOYSA-N
XLogP2.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-4-ylmethyl)chromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

Piclozotan
CID 9801640
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
5H-chromeno(2,3-b)pyridin-5-one
CID 659312
Uccf-029
CID 3163532
2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
Nicotinic acid, 3-methylphenyl ester
CID 532681
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Phenyl 2-phenoxynicotinate
CID 2797686

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)chromen-4-one?
The IUPAC name of 2-(pyridin-4-ylmethyl)chromen-4-one (CID 127028500) is 2-(pyridin-4-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)chromen-4-one?
The canonical SMILES for 2-(pyridin-4-ylmethyl)chromen-4-one is O=c1cc(Cc2ccncc2)oc2ccccc12.
What is the InChIKey of 2-(pyridin-4-ylmethyl)chromen-4-one?
The InChIKey is MMRWEOIBRCKBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-10-12(9-11-5-7-16-8-6-11)18-15-4-2-1-3-13(14)15/h1-8,10H,9H2.
What are the key properties of 2-(pyridin-4-ylmethyl)chromen-4-one?
2-(pyridin-4-ylmethyl)chromen-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)chromen-4-one is sourced from PubChem (CID 127028500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).