5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one

C15H10BrNO3 — CID 177413534

IUPAC5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
SMILESCn1cc(Br)cc(-c2cc(=O)c3ccccc3o2)c1=O
InChIInChI=1S/C15H10BrNO3/c1-17-8-9(16)6-11(15(17)19)14-7-12(18)10-4-2-3-5-13(10)20-14/h2-8H,1H3
InChIKeySCKRGRSQNUPTAV-UHFFFAOYSA-N
MW332.15 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one

5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one (PubChem CID 177413534) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
PubChem CID177413534
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
SMILESCn1cc(Br)cc(-c2cc(=O)c3ccccc3o2)c1=O
InChIInChI=1S/C15H10BrNO3/c1-17-8-9(16)6-11(15(17)19)14-7-12(18)10-4-2-3-5-13(10)20-14/h2-8H,1H3
InChIKeySCKRGRSQNUPTAV-UHFFFAOYSA-N
XLogP2.92
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one (CID 177413534) is 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one is Cn1cc(Br)cc(-c2cc(=O)c3ccccc3o2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one?
The InChIKey is SCKRGRSQNUPTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-17-8-9(16)6-11(15(17)19)14-7-12(18)10-4-2-3-5-13(10)20-14/h2-8H,1H3.
What are the key properties of 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one?
5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one has a molecular weight of 332.15 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one is sourced from PubChem (CID 177413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).