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

C13H7BrFN3O — CID 113255679

IUPAC2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccnc(Br)c2)ccc1F
InChIInChI=1S/C13H7BrFN3O/c14-12-6-8(3-4-17-12)13(19)18-10-1-2-11(15)9(5-10)7-16/h1-6H,(H,18,19)
InChIKeyZLDYLSCIEYXBHY-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.11
Rot. Bonds2

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

2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 113255679) has the molecular formula C13H7BrFN3O and a molecular weight of 320.12 g/mol. Its IUPAC name is 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
PubChem CID113255679
Molecular FormulaC13H7BrFN3O
Molecular Weight320.12 g/mol
Exact Mass318.98
IUPAC Name2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccnc(Br)c2)ccc1F
InChIInChI=1S/C13H7BrFN3O/c14-12-6-8(3-4-17-12)13(19)18-10-1-2-11(15)9(5-10)7-16/h1-6H,(H,18,19)
InChIKeyZLDYLSCIEYXBHY-UHFFFAOYSA-N
XLogP3.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
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-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
CID 103754415
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide (CID 113255679) is 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide is N#Cc1cc(NC(=O)c2ccnc(Br)c2)ccc1F.
What is the InChIKey of 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is ZLDYLSCIEYXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O/c14-12-6-8(3-4-17-12)13(19)18-10-1-2-11(15)9(5-10)7-16/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide?
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 320.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 113255679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).