2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H5F3N2O5 — CID 134660080

IUPAC2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H5F3N2O5/c1-17-7-4(3-14)5(13(15)16)2-6(12-7)18-8(9,10)11/h2-3H,1H3
InChIKeyGYGYQCSDUWQGGZ-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.71
Rot. Bonds4

About 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde

2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134660080) has the molecular formula C8H5F3N2O5 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134660080
Molecular FormulaC8H5F3N2O5
Molecular Weight266.13 g/mol
Exact Mass266.02
IUPAC Name2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H5F3N2O5/c1-17-7-4(3-14)5(13(15)16)2-6(12-7)18-8(9,10)11/h2-3H,1H3
InChIKeyGYGYQCSDUWQGGZ-UHFFFAOYSA-N
XLogP1.71
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134665826
methyl 2-[2-methoxy-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668032
3-iodo-4-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679773
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
6-methoxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660091
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134660080) is 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1nc(OC(F)(F)F)cc([N+](=O)[O-])c1C=O.
What is the InChIKey of 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is GYGYQCSDUWQGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O5/c1-17-7-4(3-14)5(13(15)16)2-6(12-7)18-8(9,10)11/h2-3H,1H3.
What are the key properties of 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 266.13 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134660080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).