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

C8H5F5N2O2 — CID 118852057

IUPAC4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H5F5N2O2/c1-3-2-14-6(8(11,12)13)5(15(16)17)4(3)7(9)10/h2,7H,1H3
InChIKeyMEAIIQSZIMXTJM-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.25
Rot. Bonds2

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

4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine (PubChem CID 118852057) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
PubChem CID118852057
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H5F5N2O2/c1-3-2-14-6(8(11,12)13)5(15(16)17)4(3)7(9)10/h2,7H,1H3
InChIKeyMEAIIQSZIMXTJM-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-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine
CID 118809015
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine (CID 118852057) is 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine is Cc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is MEAIIQSZIMXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c1-3-2-14-6(8(11,12)13)5(15(16)17)4(3)7(9)10/h2,7H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine?
4-(difluoromethyl)-5-methyl-3-nitro-2-(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 4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118852057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).