N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide

C12H7BrClFN2O — CID 103875844

IUPACN-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H7BrClFN2O/c13-10-2-1-3-11(16-10)17-12(18)7-4-5-8(14)9(15)6-7/h1-6H,(H,16,17,18)
InChIKeyLBOCFBNHNMPKCX-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide

N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide (PubChem CID 103875844) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
PubChem CID103875844
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC NameN-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H7BrClFN2O/c13-10-2-1-3-11(16-10)17-12(18)7-4-5-8(14)9(15)6-7/h1-6H,(H,16,17,18)
InChIKeyLBOCFBNHNMPKCX-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
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-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide (CID 103875844) is N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide is O=C(Nc1cccc(Br)n1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide?
The InChIKey is LBOCFBNHNMPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-10-2-1-3-11(16-10)17-12(18)7-4-5-8(14)9(15)6-7/h1-6H,(H,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide?
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 103875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).