N-(4-bromo-2-fluorophenyl)nicotinamide

C12H8BrFN2O — CID 773500

IUPACN-(4-bromo-2-fluorophenyl)pyridine-3-carboxamide
SMILESC1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)Br)F
InChIInChI=1S/C12H8BrFN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeyNNFKSQCOCLHUGY-UHFFFAOYSA-N
MW295.11 g/mol
LogP2.70
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)nicotinamide

N-(4-bromo-2-fluorophenyl)nicotinamide (PubChem CID 773500) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)nicotinamide
PubChem CID773500
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC NameN-(4-bromo-2-fluorophenyl)pyridine-3-carboxamide
SMILESC1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)Br)F
InChIInChI=1S/C12H8BrFN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeyNNFKSQCOCLHUGY-UHFFFAOYSA-N
XLogP2.70
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity277

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)nicotinamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)nicotinamide (CID 773500) is N-(4-bromo-2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)nicotinamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)nicotinamide is C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)Br)F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)nicotinamide?
The InChIKey is NNFKSQCOCLHUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)nicotinamide?
N-(4-bromo-2-fluorophenyl)nicotinamide has a molecular weight of 295.11 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)nicotinamide is sourced from PubChem (CID 773500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).