2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H7BrF4N2O — CID 103752711

IUPAC2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccnc(Br)c1
InChIInChI=1S/C13H7BrF4N2O/c14-11-5-7(3-4-19-11)12(21)20-10-6-8(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21)
InChIKeyJWOAYESZIGTLLE-UHFFFAOYSA-N
MW363.11 g/mol
LogP4.25
Rot. Bonds2

About 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 103752711) has the molecular formula C13H7BrF4N2O and a molecular weight of 363.11 g/mol. Its IUPAC name is 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID103752711
Molecular FormulaC13H7BrF4N2O
Molecular Weight363.11 g/mol
Exact Mass361.97
IUPAC Name2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccnc(Br)c1
InChIInChI=1S/C13H7BrF4N2O/c14-11-5-7(3-4-19-11)12(21)20-10-6-8(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21)
InChIKeyJWOAYESZIGTLLE-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 54.25
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-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 103752711) is 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is JWOAYESZIGTLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4N2O/c14-11-5-7(3-4-19-11)12(21)20-10-6-8(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21).
What are the key properties of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 363.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).