N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide

C13H11BrClN3O2 — CID 139691105

IUPACN-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccnc2Cl)c(Br)n1
InChIInChI=1S/C13H11BrClN3O2/c1-20-11-5-4-9(12(14)18-11)17-10(19)7-8-3-2-6-16-13(8)15/h2-6H,7H2,1H3,(H,17,19)
InChIKeyCUOGZJXQXMBABH-UHFFFAOYSA-N
MW356.61 g/mol
LogP3.08
Rot. Bonds4

About N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide

N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide (PubChem CID 139691105) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
PubChem CID139691105
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC NameN-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccnc2Cl)c(Br)n1
InChIInChI=1S/C13H11BrClN3O2/c1-20-11-5-4-9(12(14)18-11)17-10(19)7-8-3-2-6-16-13(8)15/h2-6H,7H2,1H3,(H,17,19)
InChIKeyCUOGZJXQXMBABH-UHFFFAOYSA-N
XLogP3.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
CID 139691102
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-[2-(ethylamino)-6-methoxy-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 155675920
methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate
CID 122147311
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
CID 126836207
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide (CID 139691105) is N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide is COc1ccc(NC(=O)Cc2cccnc2Cl)c(Br)n1.
What is the InChIKey of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is CUOGZJXQXMBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c1-20-11-5-4-9(12(14)18-11)17-10(19)7-8-3-2-6-16-13(8)15/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 356.61 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 139691105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).