N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide

C12H5BrCl2F2N2O — CID 103842670

IUPACN-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H5BrCl2F2N2O/c13-6-3-8(17)9(4-7(6)16)18-12(20)5-1-2-10(14)19-11(5)15/h1-4H,(H,18,20)
InChIKeyNQSLZHSJCXDVOE-UHFFFAOYSA-N
MW381.99 g/mol
LogP4.68
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 103842670) has the molecular formula C12H5BrCl2F2N2O and a molecular weight of 381.99 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID103842670
Molecular FormulaC12H5BrCl2F2N2O
Molecular Weight381.99 g/mol
Exact Mass379.89
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H5BrCl2F2N2O/c13-6-3-8(17)9(4-7(6)16)18-12(20)5-1-2-10(14)19-11(5)15/h1-4H,(H,18,20)
InChIKeyNQSLZHSJCXDVOE-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.99
LogP ≤ 54.68
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_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide (CID 103842670) is N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is NQSLZHSJCXDVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl2F2N2O/c13-6-3-8(17)9(4-7(6)16)18-12(20)5-1-2-10(14)19-11(5)15/h1-4H,(H,18,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 381.99 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 103842670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).