1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one

C18H18BrNO3 — CID 19888514

IUPAC1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
SMILESCOCC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1C
InChIInChI=1S/C18H18BrNO3/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(19)7-8-15(14)23-18(12,2)11-22-3/h4-10H,11H2,1-3H3
InChIKeyRLEBRYFTSRMRKU-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.69
Rot. Bonds3

About 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one

1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one (PubChem CID 19888514) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
PubChem CID19888514
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
SMILESCOCC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1C
InChIInChI=1S/C18H18BrNO3/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(19)7-8-15(14)23-18(12,2)11-22-3/h4-10H,11H2,1-3H3
InChIKeyRLEBRYFTSRMRKU-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-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 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one (CID 19888514) is 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one is COCC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1C.
What is the InChIKey of 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one?
The InChIKey is RLEBRYFTSRMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(19)7-8-15(14)23-18(12,2)11-22-3/h4-10H,11H2,1-3H3.
What are the key properties of 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one?
1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one has a molecular weight of 376.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one is sourced from PubChem (CID 19888514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).