3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

C8H4F6N2O3 — CID 118818568

IUPAC3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1C(F)(F)F
InChIInChI=1S/C8H4F6N2O3/c1-3-4(19-8(12,13)14)2-5(16(17)18)15-6(3)7(9,10)11/h2H,1H3
InChIKeyLGRPYFONJNYHFC-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 118818568) has the molecular formula C8H4F6N2O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID118818568
Molecular FormulaC8H4F6N2O3
Molecular Weight290.12 g/mol
Exact Mass290.01
IUPAC Name3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1C(F)(F)F
InChIInChI=1S/C8H4F6N2O3/c1-3-4(19-8(12,13)14)2-5(16(17)18)15-6(3)7(9,10)11/h2H,1H3
InChIKeyLGRPYFONJNYHFC-UHFFFAOYSA-N
XLogP3.22
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.22
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

3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
2-[3-hydroxy-6-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681205
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
5-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 118801627
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 118818568) is 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is Cc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1C(F)(F)F.
What is the InChIKey of 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is LGRPYFONJNYHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N2O3/c1-3-4(19-8(12,13)14)2-5(16(17)18)15-6(3)7(9,10)11/h2H,1H3.
What are the key properties of 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 290.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118818568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).