2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide

C11H12F2N2OS — CID 107295633

IUPAC2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCSC1)c1ccnc(F)c1F
InChIInChI=1S/C11H12F2N2OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1,3,7H,2,4-6H2,(H,15,16)
InChIKeyWSSWXEFPVQUEGR-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.84
Rot. Bonds3

About 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide

2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 107295633) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID107295633
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCSC1)c1ccnc(F)c1F
InChIInChI=1S/C11H12F2N2OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1,3,7H,2,4-6H2,(H,15,16)
InChIKeyWSSWXEFPVQUEGR-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.84
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

N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-fluoro-5-sulfanyl-N-(thiolan-3-ylmethyl)benzamide
CID 107298606
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 105380355
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 125139619
2,5-difluoro-3-nitro-N-(thiolan-3-ylmethyl)benzamide
CID 107295614

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (CID 107295633) is 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCSC1)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WSSWXEFPVQUEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1,3,7H,2,4-6H2,(H,15,16).
What are the key properties of 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 107295633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).