(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid

C14H13F2NO3 — CID 54241550

IUPAC(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C
InChIInChI=1S/C14H13F2NO3/c1-7-13(14(19)20)9(6-12(18)17(7)2)8-3-4-10(15)11(16)5-8/h3-5,9H,6H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyQQJAHHPZQZIRFF-SECBINFHSA-N
MW281.26 g/mol
LogP2.27
Rot. Bonds2

About (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid

(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid (PubChem CID 54241550) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
PubChem CID54241550
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C
InChIInChI=1S/C14H13F2NO3/c1-7-13(14(19)20)9(6-12(18)17(7)2)8-3-4-10(15)11(16)5-8/h3-5,9H,6H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyQQJAHHPZQZIRFF-SECBINFHSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The IUPAC name of (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid (CID 54241550) is (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The canonical SMILES for (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid is CC1=C(C(=O)O)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C.
What is the InChIKey of (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The InChIKey is QQJAHHPZQZIRFF-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-7-13(14(19)20)9(6-12(18)17(7)2)8-3-4-10(15)11(16)5-8/h3-5,9H,6H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 54241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).