5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile

C7H2F3N3O2 — CID 134662387

IUPAC5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2F3N3O2/c8-6(9)4-5(13(14)15)3(1-11)2-12-7(4)10/h2,6H
InChIKeyHYRDSOPQXYYMRG-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.94
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile

5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile (PubChem CID 134662387) has the molecular formula C7H2F3N3O2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
PubChem CID134662387
Molecular FormulaC7H2F3N3O2
Molecular Weight217.11 g/mol
Exact Mass217.01
IUPAC Name5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2F3N3O2/c8-6(9)4-5(13(14)15)3(1-11)2-12-7(4)10/h2,6H
InChIKeyHYRDSOPQXYYMRG-UHFFFAOYSA-N
XLogP1.94
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
2-[5-cyano-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134684158
methyl 2-[5-cyano-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134664036
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
4-(cyanomethyl)-5-(difluoromethyl)-6-nitropyridine-3-carbonitrile
CID 133107364
2-[4-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetonitrile
CID 118829553
[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
CID 134669756
4-(difluoromethyl)-5-methoxy-3-nitropyridine-2-carbonitrile
CID 134672422

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile (CID 134662387) is 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile is N#Cc1cnc(F)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile?
The InChIKey is HYRDSOPQXYYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N3O2/c8-6(9)4-5(13(14)15)3(1-11)2-12-7(4)10/h2,6H.
What are the key properties of 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile?
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile has a molecular weight of 217.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile is sourced from PubChem (CID 134662387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).