6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide

C10H13FN2O2S — CID 115869324

IUPAC6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(F)n1)S(C)=O
InChIInChI=1S/C10H13FN2O2S/c1-7(16(2)15)6-12-10(14)8-4-3-5-9(11)13-8/h3-5,7H,6H2,1-2H3,(H,12,14)
InChIKeyOHSBUSBBMQVYBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds4

About 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide

6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide (PubChem CID 115869324) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
PubChem CID115869324
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(F)n1)S(C)=O
InChIInChI=1S/C10H13FN2O2S/c1-7(16(2)15)6-12-10(14)8-4-3-5-9(11)13-8/h3-5,7H,6H2,1-2H3,(H,12,14)
InChIKeyOHSBUSBBMQVYBD-UHFFFAOYSA-N
XLogP0.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
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

6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
CID 115765209
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide (CID 115869324) is 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide is CC(CNC(=O)c1cccc(F)n1)S(C)=O.
What is the InChIKey of 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The InChIKey is OHSBUSBBMQVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-7(16(2)15)6-12-10(14)8-4-3-5-9(11)13-8/h3-5,7H,6H2,1-2H3,(H,12,14).
What are the key properties of 6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 0.72, 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-methylsulfinylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115869324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).