N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide

C13H10BrN3O4 — CID 106509645

IUPACN-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C13H10BrN3O4/c1-21-11-6-9(17(19)20)3-4-10(11)13(18)16-8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18)
InChIKeyWIZHFHUYLOTAPE-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.01
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide

N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide (PubChem CID 106509645) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
PubChem CID106509645
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC NameN-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C13H10BrN3O4/c1-21-11-6-9(17(19)20)3-4-10(11)13(18)16-8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18)
InChIKeyWIZHFHUYLOTAPE-UHFFFAOYSA-N
XLogP3.01
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
CID 104783753
N-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
2-methoxy-4-nitrobenzoate
CID 6995516
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide (CID 106509645) is N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide?
The InChIKey is WIZHFHUYLOTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c1-21-11-6-9(17(19)20)3-4-10(11)13(18)16-8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide?
N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide has a molecular weight of 352.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide is sourced from PubChem (CID 106509645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).