2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile

C8H5F2N3O2 — CID 118835055

IUPAC2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C8H5F2N3O2/c9-8(10)6-3-7(13(14)15)12-4-5(6)1-2-11/h3-4,8H,1H2
InChIKeyGJUOFQGCNRJNDG-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile (PubChem CID 118835055) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
PubChem CID118835055
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C8H5F2N3O2/c9-8(10)6-3-7(13(14)15)12-4-5(6)1-2-11/h3-4,8H,1H2
InChIKeyGJUOFQGCNRJNDG-UHFFFAOYSA-N
XLogP1.99
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.99
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

5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788
2-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
2-[5-bromo-6-(difluoromethyl)-4-nitro-3-pyridinyl]acetonitrile
CID 130069827
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
2-[5-bromo-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 130069833
2-[5-(difluoromethyl)-6-methyl-4-nitro-3-pyridinyl]acetonitrile
CID 133098760
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
2-[5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084342
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetonitrile
CID 130106902
2-[4-chloro-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118817087
2-[5-(difluoromethyl)-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile (CID 118835055) is 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile is N#CCc1cnc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile?
The InChIKey is GJUOFQGCNRJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-8(10)6-3-7(13(14)15)12-4-5(6)1-2-11/h3-4,8H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile has a molecular weight of 213.14 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).