3-bromo-5-chloro-6-methyl-1H-pyridin-2-one

C6H5BrClNO — CID 75487711

IUPAC3-bromo-5-chloro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1Cl
InChIInChI=1S/C6H5BrClNO/c1-3-5(8)2-4(7)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyQDLZTNVFWGSPIY-UHFFFAOYSA-N
MW222.47 g/mol
LogP2.10
Rot. Bonds

About 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one

3-bromo-5-chloro-6-methyl-1H-pyridin-2-one (PubChem CID 75487711) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-chloro-6-methyl-1H-pyridin-2-one
PubChem CID75487711
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name3-bromo-5-chloro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Br)cc1Cl
InChIInChI=1S/C6H5BrClNO/c1-3-5(8)2-4(7)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyQDLZTNVFWGSPIY-UHFFFAOYSA-N
XLogP2.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one (CID 75487711) is 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(Br)cc1Cl.
What is the InChIKey of 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one?
The InChIKey is QDLZTNVFWGSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-3-5(8)2-4(7)6(10)9-3/h2H,1H3,(H,9,10).
What are the key properties of 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one?
3-bromo-5-chloro-6-methyl-1H-pyridin-2-one has a molecular weight of 222.47 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 75487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).