5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine

C7H4F3IN2O3 — CID 134666993

IUPAC5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1c(I)cnc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3IN2O3/c1-3-4(11)2-12-6(5(3)13(14)15)16-7(8,9)10/h2H,1H3
InChIKeyTXGLRTXQXAVDTB-UHFFFAOYSA-N
MW348.02 g/mol
LogP2.80
Rot. Bonds2

About 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine

5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 134666993) has the molecular formula C7H4F3IN2O3 and a molecular weight of 348.02 g/mol. Its IUPAC name is 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
PubChem CID134666993
Molecular FormulaC7H4F3IN2O3
Molecular Weight348.02 g/mol
Exact Mass347.92
IUPAC Name5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1c(I)cnc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3IN2O3/c1-3-4(11)2-12-6(5(3)13(14)15)16-7(8,9)10/h2H,1H3
InChIKeyTXGLRTXQXAVDTB-UHFFFAOYSA-N
XLogP2.80
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660201
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
ethyl 4-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666796

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine (CID 134666993) is 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine is Cc1c(I)cnc(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is TXGLRTXQXAVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O3/c1-3-4(11)2-12-6(5(3)13(14)15)16-7(8,9)10/h2H,1H3.
What are the key properties of 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 348.02 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134666993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).