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

C8H5F5N2O3 — CID 118837547

IUPAC2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O3/c1-3-2-4(18-8(11,12)13)14-5(7(9)10)6(3)15(16)17/h2,7H,1H3
InChIKeyIGHVZBWQRBZNPC-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.13
Rot. Bonds3

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

2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine (PubChem CID 118837547) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
PubChem CID118837547
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O3/c1-3-2-4(18-8(11,12)13)14-5(7(9)10)6(3)15(16)17/h2,7H,1H3
InChIKeyIGHVZBWQRBZNPC-UHFFFAOYSA-N
XLogP3.13
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.13
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

4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
CID 118816776
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
ethyl 2-[2-methyl-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134678991
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
2-chloro-6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 119016049
methyl 2-[3-nitro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133087641
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine (CID 118837547) is 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine?
The InChIKey is IGHVZBWQRBZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c1-3-2-4(18-8(11,12)13)14-5(7(9)10)6(3)15(16)17/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine?
2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine has a molecular weight of 272.13 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118837547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).