N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide

C12H7Br2FN2O — CID 107598690

IUPACN-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1ccc(F)nc1
InChIInChI=1S/C12H7Br2FN2O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyALQIQRKIOJJTDG-UHFFFAOYSA-N
MW374.01 g/mol
LogP4.00
Rot. Bonds2

About N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide

N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 107598690) has the molecular formula C12H7Br2FN2O and a molecular weight of 374.01 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
PubChem CID107598690
Molecular FormulaC12H7Br2FN2O
Molecular Weight374.01 g/mol
Exact Mass371.89
IUPAC NameN-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1ccc(F)nc1
InChIInChI=1S/C12H7Br2FN2O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyALQIQRKIOJJTDG-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.01
LogP ≤ 54.00
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-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 63980510
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide (CID 107598690) is N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide is O=C(Nc1c(Br)cccc1Br)c1ccc(F)nc1.
What is the InChIKey of N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is ALQIQRKIOJJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FN2O/c13-8-2-1-3-9(14)11(8)17-12(18)7-4-5-10(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide?
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 374.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).