2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine

C11H14N2O3 — CID 114938188

IUPAC2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCOc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)6-9-4-5-11(16-3)12-7-9/h4-8H,1-3H3/b10-6-
InChIKeyUPTRWTVTTJKUKD-POHAHGRESA-N
MW222.24 g/mol
LogP2.36
Rot. Bonds4

About 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine

2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine (PubChem CID 114938188) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
PubChem CID114938188
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCOc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)6-9-4-5-11(16-3)12-7-9/h4-8H,1-3H3/b10-6-
InChIKeyUPTRWTVTTJKUKD-POHAHGRESA-N
XLogP2.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.36
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-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 104823182
2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 114938948
(Z)-4-(6-methoxy-3-pyridinyl)-3-methylbut-3-en-2-amine
CID 103091947
2-methoxy-5-[(Z)-2-nitrosoprop-1-enyl]pyridine
CID 89164549
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067101
2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067099
6-methoxypyridine-3-carbaldehyde
CID 3364576
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol
CID 114939091
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The IUPAC name of 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine (CID 114938188) is 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The canonical SMILES for 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine is COc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The InChIKey is UPTRWTVTTJKUKD-POHAHGRESA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)6-9-4-5-11(16-3)12-7-9/h4-8H,1-3H3/b10-6-.
What are the key properties of 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine has a molecular weight of 222.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine is sourced from PubChem (CID 114938188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).