N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide

C11H6BrCl2N3O2 — CID 91641935

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6BrCl2N3O2/c12-5-3-7(11(19)15-4-5)16-10(18)6-1-2-8(13)17-9(6)14/h1-4H,(H,15,19)(H,16,18)
InChIKeyKATZJIFGTNDMNL-UHFFFAOYSA-N
MW363.00 g/mol
LogP3.09
Rot. Bonds2

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 91641935) has the molecular formula C11H6BrCl2N3O2 and a molecular weight of 363.00 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
PubChem CID91641935
Molecular FormulaC11H6BrCl2N3O2
Molecular Weight363.00 g/mol
Exact Mass360.90
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6BrCl2N3O2/c12-5-3-7(11(19)15-4-5)16-10(18)6-1-2-8(13)17-9(6)14/h1-4H,(H,15,19)(H,16,18)
InChIKeyKATZJIFGTNDMNL-UHFFFAOYSA-N
XLogP3.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.00
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258
(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 84559751

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide (CID 91641935) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is KATZJIFGTNDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O2/c12-5-3-7(11(19)15-4-5)16-10(18)6-1-2-8(13)17-9(6)14/h1-4H,(H,15,19)(H,16,18).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 363.00 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 91641935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).