methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate

C15H14FNO3 — CID 67294292

IUPACmethyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)c(C)c1O
InChIInChI=1S/C15H14FNO3/c1-9-11(7-10-3-5-12(16)6-4-10)8-17-13(14(9)18)15(19)20-2/h3-6,8,18H,7H2,1-2H3
InChIKeyDPXUGTBANZTKFR-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.61
Rot. Bonds3

About methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate

methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate (PubChem CID 67294292) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate
PubChem CID67294292
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)c(C)c1O
InChIInChI=1S/C15H14FNO3/c1-9-11(7-10-3-5-12(16)6-4-10)8-17-13(14(9)18)15(19)20-2/h3-6,8,18H,7H2,1-2H3
InChIKeyDPXUGTBANZTKFR-UHFFFAOYSA-N
XLogP2.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate (CID 67294292) is methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate is COC(=O)c1ncc(Cc2ccc(F)cc2)c(C)c1O.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate?
The InChIKey is DPXUGTBANZTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-11(7-10-3-5-12(16)6-4-10)8-17-13(14(9)18)15(19)20-2/h3-6,8,18H,7H2,1-2H3.
What are the key properties of methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate?
methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 67294292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).