5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid

C17H16FNO4 — CID 24871858

IUPAC5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
SMILESCC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C17H16FNO4/c1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyDYMKJALBMHDKNT-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.07
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid

5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid (PubChem CID 24871858) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
PubChem CID24871858
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
SMILESCC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C17H16FNO4/c1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyDYMKJALBMHDKNT-UHFFFAOYSA-N
XLogP3.07
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid (CID 24871858) is 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid is CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
The InChIKey is DYMKJALBMHDKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-10(2)23-17(22)15-14(16(20)21)8-12(9-19-15)7-11-3-5-13(18)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,20,21).
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid?
5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 24871858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).