5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid

C18H20FNO3 — CID 146305775

IUPAC5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
SMILESCCCCCCc1ccc(Oc2ncc(C(=O)O)cc2F)cc1
InChIInChI=1S/C18H20FNO3/c1-2-3-4-5-6-13-7-9-15(10-8-13)23-17-16(19)11-14(12-20-17)18(21)22/h7-12H,2-6H2,1H3,(H,21,22)
InChIKeyLBQLQLAFHAWCTP-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.83
Rot. Bonds8

About 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid

5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid (PubChem CID 146305775) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
PubChem CID146305775
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
SMILESCCCCCCc1ccc(Oc2ncc(C(=O)O)cc2F)cc1
InChIInChI=1S/C18H20FNO3/c1-2-3-4-5-6-13-7-9-15(10-8-13)23-17-16(19)11-14(12-20-17)18(21)22/h7-12H,2-6H2,1H3,(H,21,22)
InChIKeyLBQLQLAFHAWCTP-UHFFFAOYSA-N
XLogP4.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide
CID 142415178
2-(4-hexylphenyl)pyrimidine-5-carboxylic acid
CID 21388858
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
4-[4-(4-decylphenyl)benzoyl]oxy-3-fluorobenzoic acid
CID 139666010
1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
CID 158615225

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid (CID 146305775) is 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid is CCCCCCc1ccc(Oc2ncc(C(=O)O)cc2F)cc1.
What is the InChIKey of 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is LBQLQLAFHAWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-3-4-5-6-13-7-9-15(10-8-13)23-17-16(19)11-14(12-20-17)18(21)22/h7-12H,2-6H2,1H3,(H,21,22).
What are the key properties of 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid?
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 317.36 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 146305775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).