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

C12H15FN2O2 — CID 115497544

IUPAC6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1CCCO1)c1cccc(F)n1
InChIInChI=1S/C12H15FN2O2/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,14,16)
InChIKeyFPGSOVWZJMNVNH-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds4

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

6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 115497544) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID115497544
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1CCCO1)c1cccc(F)n1
InChIInChI=1S/C12H15FN2O2/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,14,16)
InChIKeyFPGSOVWZJMNVNH-UHFFFAOYSA-N
XLogP1.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
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-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
5-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642487
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide (CID 115497544) is 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide is O=C(NCCC1CCCO1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is FPGSOVWZJMNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,14,16).
What are the key properties of 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).