6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid

C15H18FNO3 — CID 170068305

IUPAC6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid
SMILESCCOC1CC2(C1)CC(c1ncc(C(=O)O)cc1F)C2
InChIInChI=1S/C15H18FNO3/c1-2-20-11-6-15(7-11)4-10(5-15)13-12(16)3-9(8-17-13)14(18)19/h3,8,10-11H,2,4-7H2,1H3,(H,18,19)
InChIKeyKNSISOVQMUYAHI-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.98
Rot. Bonds4

About 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid

6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 170068305) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid
PubChem CID170068305
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid
SMILESCCOC1CC2(C1)CC(c1ncc(C(=O)O)cc1F)C2
InChIInChI=1S/C15H18FNO3/c1-2-20-11-6-15(7-11)4-10(5-15)13-12(16)3-9(8-17-13)14(18)19/h3,8,10-11H,2,4-7H2,1H3,(H,18,19)
InChIKeyKNSISOVQMUYAHI-UHFFFAOYSA-N
XLogP2.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid (CID 170068305) is 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid is CCOC1CC2(C1)CC(c1ncc(C(=O)O)cc1F)C2.
What is the InChIKey of 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is KNSISOVQMUYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-20-11-6-15(7-11)4-10(5-15)13-12(16)3-9(8-17-13)14(18)19/h3,8,10-11H,2,4-7H2,1H3,(H,18,19).
What are the key properties of 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid?
6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 170068305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).