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

C8H5F3N2O4 — CID 134662278

IUPAC6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1ncc(C=O)c(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)7(17-8(9,10)11)5(3-14)2-12-4/h2-3H,1H3
InChIKeyUOQVCLCVLNTZNS-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.01
Rot. Bonds3

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

6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134662278) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134662278
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1ncc(C=O)c(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)7(17-8(9,10)11)5(3-14)2-12-4/h2-3H,1H3
InChIKeyUOQVCLCVLNTZNS-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

5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbaldehyde
CID 134678369
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130093349
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134662278) is 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is Cc1ncc(C=O)c(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is UOQVCLCVLNTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c1-4-6(13(15)16)7(17-8(9,10)11)5(3-14)2-12-4/h2-3H,1H3.
What are the key properties of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-methyl-5-nitro-4-(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 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134662278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).