4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

C15H14FNO4 — CID 18913537

IUPAC4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2F)C(C(=O)O)=C(C)N1
InChIInChI=1S/C15H14FNO4/c1-7-11(14(18)19)13(9-5-3-4-6-10(9)16)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAOPYKFCWCNONBQ-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.23
Rot. Bonds3

About 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 18913537) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
PubChem CID18913537
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2F)C(C(=O)O)=C(C)N1
InChIInChI=1S/C15H14FNO4/c1-7-11(14(18)19)13(9-5-3-4-6-10(9)16)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAOPYKFCWCNONBQ-UHFFFAOYSA-N
XLogP2.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid (CID 18913537) is 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2ccccc2F)C(C(=O)O)=C(C)N1.
What is the InChIKey of 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is AOPYKFCWCNONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-7-11(14(18)19)13(9-5-3-4-6-10(9)16)12(15(20)21)8(2)17-7/h3-6,13,17H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid?
4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 18913537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).