5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid

C13H15FN2O3 — CID 114267369

IUPAC5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCC1CC2CCC1O2
InChIInChI=1S/C13H15FN2O3/c14-8-4-10(13(17)18)12(16-6-8)15-5-7-3-9-1-2-11(7)19-9/h4,6-7,9,11H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeyBCRLXTFXTYBBIP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.90
Rot. Bonds4

About 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid

5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 114267369) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID114267369
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCC1CC2CCC1O2
InChIInChI=1S/C13H15FN2O3/c14-8-4-10(13(17)18)12(16-6-8)15-5-7-3-9-1-2-11(7)19-9/h4,6-7,9,11H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeyBCRLXTFXTYBBIP-UHFFFAOYSA-N
XLogP1.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
methyl 5-bromo-2-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methylamino]pyridine-3-carboxylate
CID 167804020
2-[(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 114267391
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 106305372
5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 114111227
6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrimidine-4,6-diamine
CID 114267447
5-fluoro-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-3-carboxylic acid
CID 114187784
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 106278118
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 114035087

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid (CID 114267369) is 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NCC1CC2CCC1O2.
What is the InChIKey of 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is BCRLXTFXTYBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-8-4-10(13(17)18)12(16-6-8)15-5-7-3-9-1-2-11(7)19-9/h4,6-7,9,11H,1-3,5H2,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid?
5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114267369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).