5-bromo-2-methoxy-4-(2-nitroethyl)pyridine

C8H9BrN2O3 — CID 146273668

IUPAC5-bromo-2-methoxy-4-(2-nitroethyl)pyridine
SMILESCOc1cc(CC[N+](=O)[O-])c(Br)cn1
InChIInChI=1S/C8H9BrN2O3/c1-14-8-4-6(2-3-11(12)13)7(9)5-10-8/h4-5H,2-3H2,1H3
InChIKeyPBZHCAFCKCATDY-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.67
Rot. Bonds4

About 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine

5-bromo-2-methoxy-4-(2-nitroethyl)pyridine (PubChem CID 146273668) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-(2-nitroethyl)pyridine
PubChem CID146273668
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-bromo-2-methoxy-4-(2-nitroethyl)pyridine
SMILESCOc1cc(CC[N+](=O)[O-])c(Br)cn1
InChIInChI=1S/C8H9BrN2O3/c1-14-8-4-6(2-3-11(12)13)7(9)5-10-8/h4-5H,2-3H2,1H3
InChIKeyPBZHCAFCKCATDY-UHFFFAOYSA-N
XLogP1.67
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-methoxy-4-pyridinyl)acetonitrile
CID 84791196
5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
CID 146273679
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
CID 84704798
1-bromo-2-methoxy-3-methyl-4-(2-nitroethyl)benzene
CID 70834021
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
5-methoxy-3-(2-nitroethyl)-1H-pyrrolo[3,2-b]pyridine
CID 639514
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
3-bromo-5-ethoxy-2-nitropyridine
CID 130631784
nitroso 5-bromo-2-methoxypyridine-4-carboxylate
CID 175292393

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine?
The IUPAC name of 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine (CID 146273668) is 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine.
What is the SMILES notation for 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine?
The canonical SMILES for 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine is COc1cc(CC[N+](=O)[O-])c(Br)cn1.
What is the InChIKey of 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine?
The InChIKey is PBZHCAFCKCATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-14-8-4-6(2-3-11(12)13)7(9)5-10-8/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine?
5-bromo-2-methoxy-4-(2-nitroethyl)pyridine has a molecular weight of 261.07 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-(2-nitroethyl)pyridine is sourced from PubChem (CID 146273668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).