5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid

C19H14F2N2O3 — CID 118213214

IUPAC5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Cc2cc(F)c(Cc3ccc[nH]c3=O)cc2F)c1
InChIInChI=1S/C19H14F2N2O3/c20-16-8-14(6-12-2-1-3-23-18(12)24)17(21)7-13(16)4-11-5-15(19(25)26)10-22-9-11/h1-3,5,7-10H,4,6H2,(H,23,24)(H,25,26)
InChIKeyMUEDMNKNUHASNX-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.93
Rot. Bonds5

About 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid

5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 118213214) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID118213214
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Cc2cc(F)c(Cc3ccc[nH]c3=O)cc2F)c1
InChIInChI=1S/C19H14F2N2O3/c20-16-8-14(6-12-2-1-3-23-18(12)24)17(21)7-13(16)4-11-5-15(19(25)26)10-22-9-11/h1-3,5,7-10H,4,6H2,(H,23,24)(H,25,26)
InChIKeyMUEDMNKNUHASNX-UHFFFAOYSA-N
XLogP2.93
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid (CID 118213214) is 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(Cc2cc(F)c(Cc3ccc[nH]c3=O)cc2F)c1.
What is the InChIKey of 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is MUEDMNKNUHASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c20-16-8-14(6-12-2-1-3-23-18(12)24)17(21)7-13(16)4-11-5-15(19(25)26)10-22-9-11/h1-3,5,7-10H,4,6H2,(H,23,24)(H,25,26).
What are the key properties of 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid?
5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 118213214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).