5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid

C11H15FN2O4 — CID 106305372

IUPAC5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCCCOCCO
InChIInChI=1S/C11H15FN2O4/c12-8-6-9(11(16)17)10(14-7-8)13-2-1-4-18-5-3-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17)
InChIKeyBKMCEDQSDOKUDO-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.73
Rot. Bonds8

About 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid

5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid (PubChem CID 106305372) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
PubChem CID106305372
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCCCOCCO
InChIInChI=1S/C11H15FN2O4/c12-8-6-9(11(16)17)10(14-7-8)13-2-1-4-18-5-3-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17)
InChIKeyBKMCEDQSDOKUDO-UHFFFAOYSA-N
XLogP0.73
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891
5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
CID 106307515
5-fluoro-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-3-carboxylic acid
CID 114187784
5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
CID 157290725
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 106278118
5-chloro-2-(3-ethoxypropylamino)pyridine-3-carboxylic acid;propane-1,2-diol
CID 159213008
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid (CID 106305372) is 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NCCCOCCO.
What is the InChIKey of 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid?
The InChIKey is BKMCEDQSDOKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c12-8-6-9(11(16)17)10(14-7-8)13-2-1-4-18-5-3-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17).
What are the key properties of 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid?
5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106305372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).