2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

C13H7Cl2F3N2O2 — CID 26289080

IUPAC2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H7Cl2F3N2O2/c14-10-5-7(6-11(15)20-10)12(21)19-8-1-3-9(4-2-8)22-13(16,17)18/h1-6H,(H,19,21)
InChIKeyKMEMGCQCEKUAJT-UHFFFAOYSA-N
MW351.11 g/mol
LogP4.54
Rot. Bonds3

About 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 26289080) has the molecular formula C13H7Cl2F3N2O2 and a molecular weight of 351.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
PubChem CID26289080
Molecular FormulaC13H7Cl2F3N2O2
Molecular Weight351.11 g/mol
Exact Mass349.98
IUPAC Name2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H7Cl2F3N2O2/c14-10-5-7(6-11(15)20-10)12(21)19-8-1-3-9(4-2-8)22-13(16,17)18/h1-6H,(H,19,21)
InChIKeyKMEMGCQCEKUAJT-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.11
LogP ≤ 54.54
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-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
CID 166563677
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (CID 26289080) is 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is KMEMGCQCEKUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O2/c14-10-5-7(6-11(15)20-10)12(21)19-8-1-3-9(4-2-8)22-13(16,17)18/h1-6H,(H,19,21).
What are the key properties of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 351.11 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 26289080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).