2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide

C11H10F2N2OS — CID 107470805

IUPAC2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
SMILESC#CCSCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N2OS/c1-2-6-17-7-5-15-11(16)8-3-4-14-10(13)9(8)12/h1,3-4H,5-7H2,(H,15,16)
InChIKeyRJGKNGJDVFXYFS-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.46
Rot. Bonds5

About 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide

2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide (PubChem CID 107470805) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
PubChem CID107470805
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
SMILESC#CCSCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N2OS/c1-2-6-17-7-5-15-11(16)8-3-4-14-10(13)9(8)12/h1,3-4H,5-7H2,(H,15,16)
InChIKeyRJGKNGJDVFXYFS-UHFFFAOYSA-N
XLogP1.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2-bromo-6-fluoro-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103733947
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
4-(2-prop-2-ynylsulfanylethylcarbamoyl)benzoic acid
CID 114188190
5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
CID 106425176

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide (CID 107470805) is 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide is C#CCSCCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide?
The InChIKey is RJGKNGJDVFXYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-2-6-17-7-5-15-11(16)8-3-4-14-10(13)9(8)12/h1,3-4H,5-7H2,(H,15,16).
What are the key properties of 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 107470805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).