N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide

C12H6BrF3N2O — CID 107470490

IUPACN-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccnc(F)c1F
InChIInChI=1S/C12H6BrF3N2O/c13-7-2-1-3-8(14)10(7)18-12(19)6-4-5-17-11(16)9(6)15/h1-5H,(H,18,19)
InChIKeyDFHRZZRVKBZFEK-UHFFFAOYSA-N
MW331.09 g/mol
LogP3.51
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide

N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 107470490) has the molecular formula C12H6BrF3N2O and a molecular weight of 331.09 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID107470490
Molecular FormulaC12H6BrF3N2O
Molecular Weight331.09 g/mol
Exact Mass329.96
IUPAC NameN-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccnc(F)c1F
InChIInChI=1S/C12H6BrF3N2O/c13-7-2-1-3-8(14)10(7)18-12(19)6-4-5-17-11(16)9(6)15/h1-5H,(H,18,19)
InChIKeyDFHRZZRVKBZFEK-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 53.51
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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Related Compounds

N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide (CID 107470490) is N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide is O=C(Nc1c(F)cccc1Br)c1ccnc(F)c1F.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is DFHRZZRVKBZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N2O/c13-7-2-1-3-8(14)10(7)18-12(19)6-4-5-17-11(16)9(6)15/h1-5H,(H,18,19).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide?
N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 331.09 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 107470490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).