2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide

C13H8Cl2F2N2OS — CID 114917622

IUPAC2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H8Cl2F2N2OS/c14-10-6-18-11(15)5-9(10)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyKXOYCHLZNWBHJG-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.96
Rot. Bonds4

About 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide

2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (PubChem CID 114917622) has the molecular formula C13H8Cl2F2N2OS and a molecular weight of 349.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
PubChem CID114917622
Molecular FormulaC13H8Cl2F2N2OS
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H8Cl2F2N2OS/c14-10-6-18-11(15)5-9(10)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyKXOYCHLZNWBHJG-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.96
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

N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773659
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 115297076

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (CID 114917622) is 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The InChIKey is KXOYCHLZNWBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2OS/c14-10-6-18-11(15)5-9(10)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20).
What are the key properties of 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).