5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine

C7H5F3N2O2 — CID 130097943

IUPAC5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(C(F)F)cc1CF
InChIInChI=1S/C7H5F3N2O2/c8-2-4-1-5(6(9)10)3-11-7(4)12(13)14/h1,3,6H,2H2
InChIKeyFHDGQMLWMGCDDS-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.40
Rot. Bonds3

About 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine

5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine (PubChem CID 130097943) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine
PubChem CID130097943
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(C(F)F)cc1CF
InChIInChI=1S/C7H5F3N2O2/c8-2-4-1-5(6(9)10)3-11-7(4)12(13)14/h1,3,6H,2H2
InChIKeyFHDGQMLWMGCDDS-UHFFFAOYSA-N
XLogP2.40
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.40
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-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
CID 130097976
5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070
methyl 5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134673314
4-bromo-5-(fluoromethyl)-2-nitropyridine
CID 118811714
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
methyl 2-[4-bromo-5-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134675395

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine?
The IUPAC name of 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine (CID 130097943) is 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine.
What is the SMILES notation for 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine?
The canonical SMILES for 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine is O=[N+]([O-])c1ncc(C(F)F)cc1CF.
What is the InChIKey of 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine?
The InChIKey is FHDGQMLWMGCDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-2-4-1-5(6(9)10)3-11-7(4)12(13)14/h1,3,6H,2H2.
What are the key properties of 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine?
5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine has a molecular weight of 206.12 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine is sourced from PubChem (CID 130097943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).