3-(difluoromethyl)-4,6-difluoro-2-nitropyridine

C6H2F4N2O2 — CID 118800101

IUPAC3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
SMILESO=[N+]([O-])c1nc(F)cc(F)c1C(F)F
InChIInChI=1S/C6H2F4N2O2/c7-2-1-3(8)11-6(12(13)14)4(2)5(9)10/h1,5H
InChIKeySWEDEMCDEAEIHT-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.21
Rot. Bonds2

About 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine

3-(difluoromethyl)-4,6-difluoro-2-nitropyridine (PubChem CID 118800101) has the molecular formula C6H2F4N2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
PubChem CID118800101
Molecular FormulaC6H2F4N2O2
Molecular Weight210.09 g/mol
Exact Mass210.01
IUPAC Name3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
SMILESO=[N+]([O-])c1nc(F)cc(F)c1C(F)F
InChIInChI=1S/C6H2F4N2O2/c7-2-1-3(8)11-6(12(13)14)4(2)5(9)10/h1,5H
InChIKeySWEDEMCDEAEIHT-UHFFFAOYSA-N
XLogP2.21
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine?
The IUPAC name of 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine (CID 118800101) is 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine.
What is the SMILES notation for 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine?
The canonical SMILES for 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine is O=[N+]([O-])c1nc(F)cc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine?
The InChIKey is SWEDEMCDEAEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4N2O2/c7-2-1-3(8)11-6(12(13)14)4(2)5(9)10/h1,5H.
What are the key properties of 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine?
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine has a molecular weight of 210.09 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,6-difluoro-2-nitropyridine is sourced from PubChem (CID 118800101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).