4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile

C8H2F5N3O2 — CID 133107406

IUPAC4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(C(F)(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H2F5N3O2/c9-6(10)4-1-3(2-14)15-7(16(17)18)5(4)8(11,12)13/h1,6H
InChIKeyGSXCVKBPCAOLLP-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.82
Rot. Bonds2

About 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile

4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133107406) has the molecular formula C8H2F5N3O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133107406
Molecular FormulaC8H2F5N3O2
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(C(F)(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H2F5N3O2/c9-6(10)4-1-3(2-14)15-7(16(17)18)5(4)8(11,12)13/h1,6H
InChIKeyGSXCVKBPCAOLLP-UHFFFAOYSA-N
XLogP2.82
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.82
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

4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
5-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carbonitrile
CID 134674457

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 133107406) is 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(C(F)(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is GSXCVKBPCAOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5N3O2/c9-6(10)4-1-3(2-14)15-7(16(17)18)5(4)8(11,12)13/h1,6H.
What are the key properties of 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 267.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133107406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).