2-decoxy-5-fluoropyridine-3-carboxylic acid

C16H24FNO3 — CID 172846926

IUPAC2-decoxy-5-fluoropyridine-3-carboxylic acid
SMILESCCCCCCCCCCOc1ncc(F)cc1C(=O)O
InChIInChI=1S/C16H24FNO3/c1-2-3-4-5-6-7-8-9-10-21-15-14(16(19)20)11-13(17)12-18-15/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyXNYBRFJGAGNJFJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.44
Rot. Bonds11

About 2-decoxy-5-fluoropyridine-3-carboxylic acid

2-decoxy-5-fluoropyridine-3-carboxylic acid (PubChem CID 172846926) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-decoxy-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-decoxy-5-fluoropyridine-3-carboxylic acid
PubChem CID172846926
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-decoxy-5-fluoropyridine-3-carboxylic acid
SMILESCCCCCCCCCCOc1ncc(F)cc1C(=O)O
InChIInChI=1S/C16H24FNO3/c1-2-3-4-5-6-7-8-9-10-21-15-14(16(19)20)11-13(17)12-18-15/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyXNYBRFJGAGNJFJ-UHFFFAOYSA-N
XLogP4.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.44
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-2-nonoxybenzoic acid
CID 115297915
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
4-octoxypyridine-3-carboxylic acid
CID 81226157
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
6-chloro-2-hexoxypyridine-3-carboxylic acid
CID 63376967
2,5-dipentoxyterephthalic acid;dihydrochloride
CID 70289838
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
2,5-didodecoxybenzoic acid
CID 168826367
2-amino-5-heptoxybenzoic acid
CID 54888058
2-iodyl-5-octoxybenzoic acid
CID 3828881
2-octadecoxyterephthalic acid
CID 142668937

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-decoxy-5-fluoropyridine-3-carboxylic acid (CID 172846926) is 2-decoxy-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-decoxy-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-decoxy-5-fluoropyridine-3-carboxylic acid is CCCCCCCCCCOc1ncc(F)cc1C(=O)O.
What is the InChIKey of 2-decoxy-5-fluoropyridine-3-carboxylic acid?
The InChIKey is XNYBRFJGAGNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-2-3-4-5-6-7-8-9-10-21-15-14(16(19)20)11-13(17)12-18-15/h11-12H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-decoxy-5-fluoropyridine-3-carboxylic acid?
2-decoxy-5-fluoropyridine-3-carboxylic acid has a molecular weight of 297.37 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 172846926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).