6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine

C7H3F5N2O2 — CID 134675700

IUPAC6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C7H3F5N2O2/c8-6(9)3-1-2-4(14(15)16)5(13-3)7(10,11)12/h1-2,6H
InChIKeyOBZTZAJFAXEFDS-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.95
Rot. Bonds2

About 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine

6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine (PubChem CID 134675700) has the molecular formula C7H3F5N2O2 and a molecular weight of 242.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
PubChem CID134675700
Molecular FormulaC7H3F5N2O2
Molecular Weight242.10 g/mol
Exact Mass242.01
IUPAC Name6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C7H3F5N2O2/c8-6(9)3-1-2-4(14(15)16)5(13-3)7(10,11)12/h1-2,6H
InChIKeyOBZTZAJFAXEFDS-UHFFFAOYSA-N
XLogP2.95
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.95
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

3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134663698
2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
CID 174575917
6-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130094791
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
CID 130097967
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982
2-(difluoromethyl)-1-nitro-3-(trifluoromethyl)benzene
CID 46311753
4-(difluoromethyl)-2-nitro-1-(trifluoromethyl)benzene
CID 46311754
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine (CID 134675700) is 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1ccc(C(F)F)nc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is OBZTZAJFAXEFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O2/c8-6(9)3-1-2-4(14(15)16)5(13-3)7(10,11)12/h1-2,6H.
What are the key properties of 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine?
6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 242.10 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134675700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).