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

C8H5F5N2O3 — CID 134672786

IUPAC4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
SMILESCc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c1-3-2-14-7(15(16)17)5(4(3)6(9)10)18-8(11,12)13/h2,6H,1H3
InChIKeyUAAIBJDDSWCJBI-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.13
Rot. Bonds3

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

4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 134672786) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
PubChem CID134672786
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
SMILESCc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c1-3-2-14-7(15(16)17)5(4(3)6(9)10)18-8(11,12)13/h2,6H,1H3
InChIKeyUAAIBJDDSWCJBI-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

5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134660667
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
ethyl 4-(difluoromethyl)-2-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134669717
ethyl 2-[5-(difluoromethyl)-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664146
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine (CID 134672786) is 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine is Cc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is UAAIBJDDSWCJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c1-3-2-14-7(15(16)17)5(4(3)6(9)10)18-8(11,12)13/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-5-methyl-2-nitro-3-(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 4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134672786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).