N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide

C12H5BrClF3N2O — CID 104624666

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H5BrClF3N2O/c13-7-3-5(4-18-11(7)14)19-12(20)6-1-2-8(15)10(17)9(6)16/h1-4H,(H,19,20)
InChIKeyWZSRPOBXNKSWMR-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.17
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide (PubChem CID 104624666) has the molecular formula C12H5BrClF3N2O and a molecular weight of 365.54 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
PubChem CID104624666
Molecular FormulaC12H5BrClF3N2O
Molecular Weight365.54 g/mol
Exact Mass363.92
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H5BrClF3N2O/c13-7-3-5(4-18-11(7)14)19-12(20)6-1-2-8(15)10(17)9(6)16/h1-4H,(H,19,20)
InChIKeyWZSRPOBXNKSWMR-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113037612

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide (CID 104624666) is N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide is O=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide?
The InChIKey is WZSRPOBXNKSWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF3N2O/c13-7-3-5(4-18-11(7)14)19-12(20)6-1-2-8(15)10(17)9(6)16/h1-4H,(H,19,20).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide has a molecular weight of 365.54 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 104624666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).