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

C12H6BrClF2N2O — CID 103816540

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H6BrClF2N2O/c13-8-4-7(5-17-11(8)14)18-12(19)6-1-2-9(15)10(16)3-6/h1-5H,(H,18,19)
InChIKeyLIXOKAROPJFUGL-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.03
Rot. Bonds2

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

N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide (PubChem CID 103816540) has the molecular formula C12H6BrClF2N2O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
PubChem CID103816540
Molecular FormulaC12H6BrClF2N2O
Molecular Weight347.55 g/mol
Exact Mass345.93
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H6BrClF2N2O/c13-8-4-7(5-17-11(8)14)18-12(19)6-1-2-9(15)10(16)3-6/h1-5H,(H,18,19)
InChIKeyLIXOKAROPJFUGL-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide (CID 103816540) is N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide is O=C(Nc1cnc(Cl)c(Br)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide?
The InChIKey is LIXOKAROPJFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2N2O/c13-8-4-7(5-17-11(8)14)18-12(19)6-1-2-9(15)10(16)3-6/h1-5H,(H,18,19).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide has a molecular weight of 347.55 g/mol, XLogP of 4.03, 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)-3,4-difluorobenzamide is sourced from PubChem (CID 103816540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).