methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate

C7H5BrFNO3 — CID 166732094

IUPACmethyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1c(Br)c[nH]c(=O)c1F
InChIInChI=1S/C7H5BrFNO3/c1-13-7(12)4-3(8)2-10-6(11)5(4)9/h2H,1H3,(H,10,11)
InChIKeyLQTIQZVYJCDICX-UHFFFAOYSA-N
MW250.02 g/mol
LogP1.06
Rot. Bonds1

About methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate

methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 166732094) has the molecular formula C7H5BrFNO3 and a molecular weight of 250.02 g/mol. Its IUPAC name is methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate
PubChem CID166732094
Molecular FormulaC7H5BrFNO3
Molecular Weight250.02 g/mol
Exact Mass248.94
IUPAC Namemethyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1c(Br)c[nH]c(=O)c1F
InChIInChI=1S/C7H5BrFNO3/c1-13-7(12)4-3(8)2-10-6(11)5(4)9/h2H,1H3,(H,10,11)
InChIKeyLQTIQZVYJCDICX-UHFFFAOYSA-N
XLogP1.06
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.02
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 5-bromo-2-hydroxyisonicotinate
CID 25306972
methyl 3-bromo-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carboxylate
CID 169249743
Methyl 5-fluoro-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 46311146
methyl 3-fluoro-2-oxo-1H-pyridine-4-carboxylate
CID 46311251
methyl 3-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-4-carboxylate
CID 130079686
methyl 5-bromo-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110482
methyl 3-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130110483
methyl 5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130110488
methyl 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130110495
ethyl 5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134678187
Methyl 2-hydroxy-3-bromo-isonicotinate
CID 46311218
methyl 4-bromo-6-oxo-1H-pyridine-3-carboxylate
CID 131094745

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate (CID 166732094) is methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1c(Br)c[nH]c(=O)c1F.
What is the InChIKey of methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is LQTIQZVYJCDICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO3/c1-13-7(12)4-3(8)2-10-6(11)5(4)9/h2H,1H3,(H,10,11).
What are the key properties of methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate?
methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 250.02 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-fluoro-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 166732094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).