2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

C11H9FN2OS — CID 107358701

IUPAC2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1cccnc1F
InChIInChI=1S/C11H9FN2OS/c12-10-9(2-1-4-13-10)11(15)14-6-8-3-5-16-7-8/h1-5,7H,6H2,(H,14,15)
InChIKeyIJABOWLTALWEDR-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds3

About 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 107358701) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID107358701
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1cccnc1F
InChIInChI=1S/C11H9FN2OS/c12-10-9(2-1-4-13-10)11(15)14-6-8-3-5-16-7-8/h1-5,7H,6H2,(H,14,15)
InChIKeyIJABOWLTALWEDR-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
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-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 105386232
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 107358761
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 107358701) is 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccsc1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IJABOWLTALWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-10-9(2-1-4-13-10)11(15)14-6-8-3-5-16-7-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).