1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C19H19F2NO4 — CID 58067633

IUPAC1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCC(F)(F)CC2)cc(O)c1=O
InChIInChI=1S/C19H19F2NO4/c20-19(21)8-6-18(7-9-19,13-4-2-1-3-5-13)12-22-10-14(17(25)26)16(24)15(23)11-22/h1-5,10-11,23H,6-9,12H2,(H,25,26)
InChIKeyUECXEYYOHSNINH-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.40
Rot. Bonds4

About 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067633) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067633
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCC(F)(F)CC2)cc(O)c1=O
InChIInChI=1S/C19H19F2NO4/c20-19(21)8-6-18(7-9-19,13-4-2-1-3-5-13)12-22-10-14(17(25)26)16(24)15(23)11-22/h1-5,10-11,23H,6-9,12H2,(H,25,26)
InChIKeyUECXEYYOHSNINH-UHFFFAOYSA-N
XLogP3.40
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067633) is 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)CCC(F)(F)CC2)cc(O)c1=O.
What is the InChIKey of 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is UECXEYYOHSNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-19(21)8-6-18(7-9-19,13-4-2-1-3-5-13)12-22-10-14(17(25)26)16(24)15(23)11-22/h1-5,10-11,23H,6-9,12H2,(H,25,26).
What are the key properties of 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 363.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).