5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine

C9H9BrN2O3 — CID 146273679

IUPAC5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
SMILESCOc1cc(/C=C(/C)[N+](=O)[O-])c(Br)cn1
InChIInChI=1S/C9H9BrN2O3/c1-6(12(13)14)3-7-4-9(15-2)11-5-8(7)10/h3-5H,1-2H3/b6-3-
InChIKeyBENMQNXKNDAJCV-UTCJRWHESA-N
MW273.09 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine

5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine (PubChem CID 146273679) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
PubChem CID146273679
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
SMILESCOc1cc(/C=C(/C)[N+](=O)[O-])c(Br)cn1
InChIInChI=1S/C9H9BrN2O3/c1-6(12(13)14)3-7-4-9(15-2)11-5-8(7)10/h3-5H,1-2H3/b6-3-
InChIKeyBENMQNXKNDAJCV-UTCJRWHESA-N
XLogP2.49
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine?
The IUPAC name of 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine (CID 146273679) is 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine.
What is the SMILES notation for 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine?
The canonical SMILES for 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine is COc1cc(/C=C(/C)[N+](=O)[O-])c(Br)cn1.
What is the InChIKey of 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine?
The InChIKey is BENMQNXKNDAJCV-UTCJRWHESA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-6(12(13)14)3-7-4-9(15-2)11-5-8(7)10/h3-5H,1-2H3/b6-3-.
What are the key properties of 5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine?
5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine has a molecular weight of 273.09 g/mol, XLogP of 2.49, 3 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-[(Z)-2-nitroprop-1-enyl]pyridine is sourced from PubChem (CID 146273679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).