5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid

C13H19FN2O3 — CID 106003891

IUPAC5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
SMILESCC(C)OCCCCNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-4-3-5-15-12-11(13(17)18)7-10(14)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAQPUIODNGOVFIG-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.54
Rot. Bonds8

About 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid

5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid (PubChem CID 106003891) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
PubChem CID106003891
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
SMILESCC(C)OCCCCNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-4-3-5-15-12-11(13(17)18)7-10(14)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAQPUIODNGOVFIG-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 106305372
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890
2-amino-4-fluoro-5-(4-propan-2-yloxybutylamino)benzoic acid
CID 106014240
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
3-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 114136276
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
5-fluoro-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-3-carboxylic acid
CID 114187784

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid (CID 106003891) is 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid is CC(C)OCCCCNc1ncc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
The InChIKey is AQPUIODNGOVFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-9(2)19-6-4-3-5-15-12-11(13(17)18)7-10(14)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid?
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid has a molecular weight of 270.30 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106003891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).