4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide

C12H8BrF2N3O — CID 107616547

IUPAC4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-7-3-9(15)11(4-8(7)14)18-12(19)6-5-17-2-1-10(6)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyGFQQJIAYMBMLBG-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.96
Rot. Bonds2

About 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide

4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide (PubChem CID 107616547) has the molecular formula C12H8BrF2N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
PubChem CID107616547
Molecular FormulaC12H8BrF2N3O
Molecular Weight328.12 g/mol
Exact Mass326.98
IUPAC Name4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-7-3-9(15)11(4-8(7)14)18-12(19)6-5-17-2-1-10(6)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyGFQQJIAYMBMLBG-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide (CID 107616547) is 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is GFQQJIAYMBMLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O/c13-7-3-9(15)11(4-8(7)14)18-12(19)6-5-17-2-1-10(6)16/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 328.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).