2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide

C13H11FN2O2S — CID 96565912

IUPAC2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
SMILESC[S@@](=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C13H11FN2O2S/c1-19(18)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)/t19-/m1/s1
InChIKeyOHBVCYGNJMXGNW-LJQANCHMSA-N
MW278.31 g/mol
LogP2.21
Rot. Bonds3

About 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide

2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide (PubChem CID 96565912) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
PubChem CID96565912
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
SMILESC[S@@](=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C13H11FN2O2S/c1-19(18)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)/t19-/m1/s1
InChIKeyOHBVCYGNJMXGNW-LJQANCHMSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
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-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61295474
2-fluoro-N-(2-oxo-1,3-dihydroinden-5-yl)pyridine-4-carboxamide
CID 159000528
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyridine-4-carboxamide
CID 61294942
N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide (CID 96565912) is 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide is C[S@@](=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide?
The InChIKey is OHBVCYGNJMXGNW-LJQANCHMSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-19(18)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)/t19-/m1/s1.
What are the key properties of 2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide?
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide has a molecular weight of 278.31 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-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 96565912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).