methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate

C14H11BrFNO3 — CID 106698955

IUPACmethyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(Cn2cccc(Br)c2=O)cc1F
InChIInChI=1S/C14H11BrFNO3/c1-20-14(19)10-5-4-9(7-12(10)16)8-17-6-2-3-11(15)13(17)18/h2-7H,8H2,1H3
InChIKeyWIKUJMNOABFMQW-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.58
Rot. Bonds3

About methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate

methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate (PubChem CID 106698955) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate
PubChem CID106698955
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Namemethyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(Cn2cccc(Br)c2=O)cc1F
InChIInChI=1S/C14H11BrFNO3/c1-20-14(19)10-5-4-9(7-12(10)16)8-17-6-2-3-11(15)13(17)18/h2-7H,8H2,1H3
InChIKeyWIKUJMNOABFMQW-UHFFFAOYSA-N
XLogP2.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 103749426
methyl 4-[(2,6-dibromoanilino)methyl]-2-fluorobenzoate
CID 107601031
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
methyl 4-[(2-cyanoimidazol-1-yl)methyl]-2-fluorobenzoate
CID 113347419
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
methyl 4-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzoate
CID 106698803
methyl 4-(2-bromoethyl)-2-fluorobenzoate
CID 174467510
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
CID 106698789
methyl 4-[[5-cyano-3-(2-hydroxyethyl)-2,6-dioxopyrimidin-1-yl]methyl]-2-fluorobenzoate
CID 126829764
methyl 4-[(3,4-difluorophenyl)methyl]-3-oxopyrazine-2-carboxylate
CID 58443085

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate (CID 106698955) is methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate is COC(=O)c1ccc(Cn2cccc(Br)c2=O)cc1F.
What is the InChIKey of methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate?
The InChIKey is WIKUJMNOABFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-20-14(19)10-5-4-9(7-12(10)16)8-17-6-2-3-11(15)13(17)18/h2-7H,8H2,1H3.
What are the key properties of methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate?
methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate has a molecular weight of 340.15 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate is sourced from PubChem (CID 106698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).