2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine

C9H7F3N2O3 — CID 67288650

IUPAC2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)ccc1C=C[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O3/c1-17-8-6(4-5-14(15)16)2-3-7(13-8)9(10,11)12/h2-5H,1H3
InChIKeyWNHBKPRUZPZSOK-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.36
Rot. Bonds3

About 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine

2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine (PubChem CID 67288650) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine
PubChem CID67288650
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)ccc1C=C[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O3/c1-17-8-6(4-5-14(15)16)2-3-7(13-8)9(10,11)12/h2-5H,1H3
InChIKeyWNHBKPRUZPZSOK-UHFFFAOYSA-N
XLogP2.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
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-methoxy-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
CID 67165645
2-methoxy-6-nitro-3-(trifluoromethyl)pyridine
CID 133094984
ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine
CID 156750344
1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
3-methoxy-1-(2-nitroethenyl)naphthalene
CID 135381264
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
1,2-bis(2-nitroethenyl)benzene
CID 154283712
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
CID 89105796

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine (CID 67288650) is 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine is COc1nc(C(F)(F)F)ccc1C=C[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is WNHBKPRUZPZSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c1-17-8-6(4-5-14(15)16)2-3-7(13-8)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine?
2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 248.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-nitroethenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 67288650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).