5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H5F3N2O4 — CID 134682378

IUPAC5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1c(OC(F)(F)F)ncc(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)5(3-14)2-12-7(4)17-8(9,10)11/h2-3H,1H3
InChIKeyQOWFCLRCMOBEOD-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.01
Rot. Bonds3

About 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde

5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134682378) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134682378
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1c(OC(F)(F)F)ncc(C=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)5(3-14)2-12-7(4)17-8(9,10)11/h2-3H,1H3
InChIKeyQOWFCLRCMOBEOD-UHFFFAOYSA-N
XLogP2.01
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134682378) is 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde is Cc1c(OC(F)(F)F)ncc(C=O)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is QOWFCLRCMOBEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)5(3-14)2-12-7(4)17-8(9,10)11/h2-3H,1H3.
What are the key properties of 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 250.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134682378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).