5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid

C14H10FNO4 — CID 42637705

IUPAC5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O
InChIInChI=1S/C14H10FNO4/c15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h1-4,6-7H,5H2,(H,17,18)(H,19,20)
InChIKeyAJQOYQKTSCVORU-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.21
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid

5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid (PubChem CID 42637705) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid
PubChem CID42637705
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O
InChIInChI=1S/C14H10FNO4/c15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h1-4,6-7H,5H2,(H,17,18)(H,19,20)
InChIKeyAJQOYQKTSCVORU-UHFFFAOYSA-N
XLogP2.21
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid (CID 42637705) is 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid is O=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid?
The InChIKey is AJQOYQKTSCVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-10-3-1-8(2-4-10)5-9-6-11(13(17)18)12(14(19)20)16-7-9/h1-4,6-7H,5H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid?
5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 42637705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).