2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C8H5Cl2F3N2O — CID 114917186

IUPAC2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H5Cl2F3N2O/c9-5-2-14-6(10)1-4(5)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyFBQWYDBDEZGZMM-UHFFFAOYSA-N
MW273.04 g/mol
LogP2.68
Rot. Bonds2

About 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 114917186) has the molecular formula C8H5Cl2F3N2O and a molecular weight of 273.04 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID114917186
Molecular FormulaC8H5Cl2F3N2O
Molecular Weight273.04 g/mol
Exact Mass271.97
IUPAC Name2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H5Cl2F3N2O/c9-5-2-14-6(10)1-4(5)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyFBQWYDBDEZGZMM-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 114917186) is 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(NCC(F)(F)F)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is FBQWYDBDEZGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3N2O/c9-5-2-14-6(10)1-4(5)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16).
What are the key properties of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 273.04 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).