5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride

C16H17ClFNO3 — CID 175800434

IUPAC5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(C)c(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C.Cl
InChIInChI=1S/C16H16FNO3.ClH/c1-4-13-9(2)14(16(20)21)15(19)18(10(13)3)12-7-5-11(17)6-8-12;/h5-8H,4H2,1-3H3,(H,20,21);1H
InChIKeySVKMCCRAESAEFN-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.28
Rot. Bonds3

About 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride

5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride (PubChem CID 175800434) has the molecular formula C16H17ClFNO3 and a molecular weight of 325.77 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride
PubChem CID175800434
Molecular FormulaC16H17ClFNO3
Molecular Weight325.77 g/mol
Exact Mass325.09
IUPAC Name5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(C)c(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C.Cl
InChIInChI=1S/C16H16FNO3.ClH/c1-4-13-9(2)14(16(20)21)15(19)18(10(13)3)12-7-5-11(17)6-8-12;/h5-8H,4H2,1-3H3,(H,20,21);1H
InChIKeySVKMCCRAESAEFN-UHFFFAOYSA-N
XLogP3.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride (CID 175800434) is 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride is CCc1c(C)c(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C.Cl.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The InChIKey is SVKMCCRAESAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3.ClH/c1-4-13-9(2)14(16(20)21)15(19)18(10(13)3)12-7-5-11(17)6-8-12;/h5-8H,4H2,1-3H3,(H,20,21);1H.
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride has a molecular weight of 325.77 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 175800434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).