2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid

C17H17FN2O3 — CID 67338108

IUPAC2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc(N3CCOCC3)n2)c(F)c1
InChIInChI=1S/C17H17FN2O3/c1-11-2-3-13(14(18)8-11)15-9-12(17(21)22)10-16(19-15)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22)
InChIKeyQLWXPUZABRMGTI-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid

2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid (PubChem CID 67338108) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid
PubChem CID67338108
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc(N3CCOCC3)n2)c(F)c1
InChIInChI=1S/C17H17FN2O3/c1-11-2-3-13(14(18)8-11)15-9-12(17(21)22)10-16(19-15)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22)
InChIKeyQLWXPUZABRMGTI-UHFFFAOYSA-N
XLogP2.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-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 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid (CID 67338108) is 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)cc(N3CCOCC3)n2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid?
The InChIKey is QLWXPUZABRMGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-2-3-13(14(18)8-11)15-9-12(17(21)22)10-16(19-15)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid?
2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid has a molecular weight of 316.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 67338108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).