2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C12H5Cl2F3N2O — CID 52762530

IUPAC2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F3N2O/c13-8-4-1-5(11(14)19-8)12(20)18-7-3-2-6(15)9(16)10(7)17/h1-4H,(H,18,20)
InChIKeyGWPNFRFKJQPJCK-UHFFFAOYSA-N
MW321.09 g/mol
LogP4.06
Rot. Bonds2

About 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 52762530) has the molecular formula C12H5Cl2F3N2O and a molecular weight of 321.09 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID52762530
Molecular FormulaC12H5Cl2F3N2O
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F3N2O/c13-8-4-1-5(11(14)19-8)12(20)18-7-3-2-6(15)9(16)10(7)17/h1-4H,(H,18,20)
InChIKeyGWPNFRFKJQPJCK-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258
2,6-dichloro-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 52803736
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
3-chloro-6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237965
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 52762530) is 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is GWPNFRFKJQPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N2O/c13-8-4-1-5(11(14)19-8)12(20)18-7-3-2-6(15)9(16)10(7)17/h1-4H,(H,18,20).
What are the key properties of 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 321.09 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 52762530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).