2-bromo-3,6-dimethoxy-5-nitropyridine

C7H7BrN2O4 — CID 172541269

IUPAC2-bromo-3,6-dimethoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(OC)nc1Br
InChIInChI=1S/C7H7BrN2O4/c1-13-5-3-4(10(11)12)7(14-2)9-6(5)8/h3H,1-2H3
InChIKeyQVDUNUKMWFLNEH-UHFFFAOYSA-N
MW263.05 g/mol
LogP1.77
Rot. Bonds3

About 2-bromo-3,6-dimethoxy-5-nitropyridine

2-bromo-3,6-dimethoxy-5-nitropyridine (PubChem CID 172541269) has the molecular formula C7H7BrN2O4 and a molecular weight of 263.05 g/mol. Its IUPAC name is 2-bromo-3,6-dimethoxy-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-3,6-dimethoxy-5-nitropyridine
PubChem CID172541269
Molecular FormulaC7H7BrN2O4
Molecular Weight263.05 g/mol
Exact Mass261.96
IUPAC Name2-bromo-3,6-dimethoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(OC)nc1Br
InChIInChI=1S/C7H7BrN2O4/c1-13-5-3-4(10(11)12)7(14-2)9-6(5)8/h3H,1-2H3
InChIKeyQVDUNUKMWFLNEH-UHFFFAOYSA-N
XLogP1.77
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.05
LogP ≤ 51.77
H-Bond Donors ≤ 50
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-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
1-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxy-2-nitrobenzene
CID 10408539
2-(difluoromethyl)-6-methoxy-5-nitropyridin-3-ol
CID 118843155
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
5-bromo-2-methoxy-4-nitrobenzonitrile
CID 14977388
(E)-2-(5-bromo-6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethenamine
CID 166021888
4,5-dibromo-2-(3-methoxy-4-nitrophenyl)triazole
CID 154676900
2-methoxy-7-methyl-3-nitro-5,6,8,9-tetrahydropyrido[2,3-d]azepine
CID 130228970
2,3-dibromo-5,6-dimethoxypyridine
CID 23056693
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
4-bromo-1,2-dimethoxybenzene;1-bromo-4,5-dimethoxy-2-nitrobenzene
CID 160559633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-dimethoxy-5-nitropyridine?
The IUPAC name of 2-bromo-3,6-dimethoxy-5-nitropyridine (CID 172541269) is 2-bromo-3,6-dimethoxy-5-nitropyridine.
What is the SMILES notation for 2-bromo-3,6-dimethoxy-5-nitropyridine?
The canonical SMILES for 2-bromo-3,6-dimethoxy-5-nitropyridine is COc1cc([N+](=O)[O-])c(OC)nc1Br.
What is the InChIKey of 2-bromo-3,6-dimethoxy-5-nitropyridine?
The InChIKey is QVDUNUKMWFLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O4/c1-13-5-3-4(10(11)12)7(14-2)9-6(5)8/h3H,1-2H3.
What are the key properties of 2-bromo-3,6-dimethoxy-5-nitropyridine?
2-bromo-3,6-dimethoxy-5-nitropyridine has a molecular weight of 263.05 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,6-dimethoxy-5-nitropyridine is sourced from PubChem (CID 172541269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).