N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H9F3N2OS — CID 162551404

IUPACN-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1S)c1ccncc1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)9-1-2-11(20)10(7-9)18-12(19)8-3-5-17-6-4-8/h1-7,20H,(H,18,19)
InChIKeyOFMATQQHGBRXND-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.64
Rot. Bonds2

About N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 162551404) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID162551404
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC NameN-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1S)c1ccncc1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)9-1-2-11(20)10(7-9)18-12(19)8-3-5-17-6-4-8/h1-7,20H,(H,18,19)
InChIKeyOFMATQQHGBRXND-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.64
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-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149642
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561

Frequently Asked Questions

What is the IUPAC name of N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 162551404) is N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1S)c1ccncc1.
What is the InChIKey of N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is OFMATQQHGBRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-13(15,16)9-1-2-11(20)10(7-9)18-12(19)8-3-5-17-6-4-8/h1-7,20H,(H,18,19).
What are the key properties of N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 162551404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).