6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide

C12H15FN2O2 — CID 115869095

IUPAC6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(F)n1)C1CCOC1
InChIInChI=1S/C12H15FN2O2/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,14,16)
InChIKeyYOXAXOCMZSVOKG-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.38
Rot. Bonds3

About 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide

6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 115869095) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID115869095
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(F)n1)C1CCOC1
InChIInChI=1S/C12H15FN2O2/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,14,16)
InChIKeyYOXAXOCMZSVOKG-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
CID 103846977
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide (CID 115869095) is 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1cccc(F)n1)C1CCOC1.
What is the InChIKey of 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YOXAXOCMZSVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115869095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).