2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine

C8H5F5N2O2 — CID 118809015

IUPAC2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine
SMILESCc1c(C(F)F)ncc(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O2/c1-3-5(7(9)10)14-2-4(8(11,12)13)6(3)15(16)17/h2,7H,1H3
InChIKeyLAARNTFVAZPWIA-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.25
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine

2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine (PubChem CID 118809015) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine
PubChem CID118809015
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine
SMILESCc1c(C(F)F)ncc(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O2/c1-3-5(7(9)10)14-2-4(8(11,12)13)6(3)15(16)17/h2,7H,1H3
InChIKeyLAARNTFVAZPWIA-UHFFFAOYSA-N
XLogP3.25
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
6-(difluoromethyl)-4-methyl-5-nitropyridine-3-carboxylic acid
CID 118815166
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
1-(bromomethyl)-2-methyl-3-nitro-4-(trifluoromethyl)benzene
CID 131325575
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine (CID 118809015) is 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine is Cc1c(C(F)F)ncc(C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine?
The InChIKey is LAARNTFVAZPWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c1-3-5(7(9)10)14-2-4(8(11,12)13)6(3)15(16)17/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine?
2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine has a molecular weight of 256.13 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118809015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).