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

C8H5F3N2O5 — CID 134681639

IUPAC6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O5/c1-17-5-2-4(3-14)6(13(15)16)7(12-5)18-8(9,10)11/h2-3H,1H3
InChIKeyBHZQASYIYRZSHQ-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.71
Rot. Bonds4

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

6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134681639) has the molecular formula C8H5F3N2O5 and a molecular weight of 266.13 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134681639
Molecular FormulaC8H5F3N2O5
Molecular Weight266.13 g/mol
Exact Mass266.02
IUPAC Name6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O5/c1-17-5-2-4(3-14)6(13(15)16)7(12-5)18-8(9,10)11/h2-3H,1H3
InChIKeyBHZQASYIYRZSHQ-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

6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
6-methoxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660091
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134660080
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134681639) is 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is COc1cc(C=O)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is BHZQASYIYRZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O5/c1-17-5-2-4(3-14)6(13(15)16)7(12-5)18-8(9,10)11/h2-3H,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-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 6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134681639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).