2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide

C13H9BrFN3O2 — CID 103754415

IUPAC2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccnc(Br)c2)ccc1F
InChIInChI=1S/C13H9BrFN3O2/c14-11-5-7(3-4-17-11)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyXZJZTUJJPVHSPL-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.33
Rot. Bonds3

About 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide

2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 103754415) has the molecular formula C13H9BrFN3O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
PubChem CID103754415
Molecular FormulaC13H9BrFN3O2
Molecular Weight338.14 g/mol
Exact Mass336.99
IUPAC Name2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccnc(Br)c2)ccc1F
InChIInChI=1S/C13H9BrFN3O2/c14-11-5-7(3-4-17-11)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyXZJZTUJJPVHSPL-UHFFFAOYSA-N
XLogP2.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide (CID 103754415) is 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide is NC(=O)c1cc(NC(=O)c2ccnc(Br)c2)ccc1F.
What is the InChIKey of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is XZJZTUJJPVHSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2/c14-11-5-7(3-4-17-11)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20).
What are the key properties of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide?
2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 338.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).