3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide

C12H9FN2OS — CID 129252405

IUPAC3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1ccncc1F
InChIInChI=1S/C12H9FN2OS/c13-11-7-14-6-5-10(11)12(16)15-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16)
InChIKeySEXXDRZAZQGCGR-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.76
Rot. Bonds2

About 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide

3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide (PubChem CID 129252405) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
PubChem CID129252405
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1ccncc1F
InChIInChI=1S/C12H9FN2OS/c13-11-7-14-6-5-10(11)12(16)15-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16)
InChIKeySEXXDRZAZQGCGR-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949504
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950255
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide (CID 129252405) is 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(S)cc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide?
The InChIKey is SEXXDRZAZQGCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-11-7-14-6-5-10(11)12(16)15-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16).
What are the key properties of 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide?
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 129252405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).