2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one

C6H4BrClFNO — CID 74890169

IUPAC2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(F)c1Br
InChIInChI=1S/C6H4BrClFNO/c1-10-2-3(8)5(11)4(9)6(10)7/h2H,1H3
InChIKeyQGRQBLKTRVDTHW-UHFFFAOYSA-N
MW240.46 g/mol
LogP1.94
Rot. Bonds

About 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one

2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one (PubChem CID 74890169) has the molecular formula C6H4BrClFNO and a molecular weight of 240.46 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one
PubChem CID74890169
Molecular FormulaC6H4BrClFNO
Molecular Weight240.46 g/mol
Exact Mass238.91
IUPAC Name2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(F)c1Br
InChIInChI=1S/C6H4BrClFNO/c1-10-2-3(8)5(11)4(9)6(10)7/h2H,1H3
InChIKeyQGRQBLKTRVDTHW-UHFFFAOYSA-N
XLogP1.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one?
The IUPAC name of 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one (CID 74890169) is 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one.
What is the SMILES notation for 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one?
The canonical SMILES for 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one is Cn1cc(Cl)c(=O)c(F)c1Br.
What is the InChIKey of 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one?
The InChIKey is QGRQBLKTRVDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO/c1-10-2-3(8)5(11)4(9)6(10)7/h2H,1H3.
What are the key properties of 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one?
2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one has a molecular weight of 240.46 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one is sourced from PubChem (CID 74890169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).