2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide

C13H7BrF4N2O2 — CID 67515088

IUPAC2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1-c1ccc(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C13H7BrF4N2O2/c14-8-3-1-6(5-9(8)22-13(16,17)18)11-7(12(19)21)2-4-10(15)20-11/h1-5H,(H2,19,21)
InChIKeyVGYSIKOAPVYWSJ-UHFFFAOYSA-N
MW379.11 g/mol
LogP3.65
Rot. Bonds3

About 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide

2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide (PubChem CID 67515088) has the molecular formula C13H7BrF4N2O2 and a molecular weight of 379.11 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide
PubChem CID67515088
Molecular FormulaC13H7BrF4N2O2
Molecular Weight379.11 g/mol
Exact Mass377.96
IUPAC Name2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1-c1ccc(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C13H7BrF4N2O2/c14-8-3-1-6(5-9(8)22-13(16,17)18)11-7(12(19)21)2-4-10(15)20-11/h1-5H,(H2,19,21)
InChIKeyVGYSIKOAPVYWSJ-UHFFFAOYSA-N
XLogP3.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.11
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide (CID 67515088) is 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide is NC(=O)c1ccc(F)nc1-c1ccc(Br)c(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is VGYSIKOAPVYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4N2O2/c14-8-3-1-6(5-9(8)22-13(16,17)18)11-7(12(19)21)2-4-10(15)20-11/h1-5H,(H2,19,21).
What are the key properties of 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide?
2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 379.11 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethoxy)phenyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 67515088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).