4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

C16H16FNO4 — CID 21411660

IUPAC4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C16H16FNO4/c1-8-12(15(19)20)14(10-5-4-6-11(17)7-10)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22)
InChIKeyKXSKWEVTYBTSRO-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.57
Rot. Bonds3

About 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 21411660) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID21411660
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C16H16FNO4/c1-8-12(15(19)20)14(10-5-4-6-11(17)7-10)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22)
InChIKeyKXSKWEVTYBTSRO-UHFFFAOYSA-N
XLogP2.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid (CID 21411660) is 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(C)N1C.
What is the InChIKey of 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is KXSKWEVTYBTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-8-12(15(19)20)14(10-5-4-6-11(17)7-10)13(16(21)22)9(2)18(8)3/h4-7,14H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid?
4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 21411660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).