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

C12H7BrF3N3O — CID 102854918

IUPAC2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2cc(Br)c(F)cc2F)c1F
InChIInChI=1S/C12H7BrF3N3O/c13-6-3-9(8(15)4-7(6)14)19-12(20)5-1-2-18-11(17)10(5)16/h1-4H,(H2,17,18)(H,19,20)
InChIKeyPPZKXLXTDNWYRY-UHFFFAOYSA-N
MW346.11 g/mol
LogP3.10
Rot. Bonds2

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

2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 102854918) has the molecular formula C12H7BrF3N3O and a molecular weight of 346.11 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID102854918
Molecular FormulaC12H7BrF3N3O
Molecular Weight346.11 g/mol
Exact Mass344.97
IUPAC Name2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2cc(Br)c(F)cc2F)c1F
InChIInChI=1S/C12H7BrF3N3O/c13-6-3-9(8(15)4-7(6)14)19-12(20)5-1-2-18-11(17)10(5)16/h1-4H,(H2,17,18)(H,19,20)
InChIKeyPPZKXLXTDNWYRY-UHFFFAOYSA-N
XLogP3.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 53.10
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

2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105387129
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide (CID 102854918) is 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide is Nc1nccc(C(=O)Nc2cc(Br)c(F)cc2F)c1F.
What is the InChIKey of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is PPZKXLXTDNWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3O/c13-6-3-9(8(15)4-7(6)14)19-12(20)5-1-2-18-11(17)10(5)16/h1-4H,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 346.11 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 102854918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).