2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide

C12H8BrClFN3O — CID 105386900

IUPAC2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1F
InChIInChI=1S/C12H8BrClFN3O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H2,16,17)(H,18,19)
InChIKeyWXZAETHRZCAGCJ-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide

2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105386900) has the molecular formula C12H8BrClFN3O and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105386900
Molecular FormulaC12H8BrClFN3O
Molecular Weight344.57 g/mol
Exact Mass342.95
IUPAC Name2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1F
InChIInChI=1S/C12H8BrClFN3O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H2,16,17)(H,18,19)
InChIKeyWXZAETHRZCAGCJ-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105387129
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide (CID 105386900) is 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide is Nc1nccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1F.
What is the InChIKey of 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is WXZAETHRZCAGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 344.57 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105386900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).