5-(difluoromethyl)-2-nitropyridine-4-carbonitrile

C7H3F2N3O2 — CID 118805197

IUPAC5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])ncc1C(F)F
InChIInChI=1S/C7H3F2N3O2/c8-7(9)5-3-11-6(12(13)14)1-4(5)2-10/h1,3,7H
InChIKeyGZZAMAGYYSNOSO-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.80
Rot. Bonds2

About 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile

5-(difluoromethyl)-2-nitropyridine-4-carbonitrile (PubChem CID 118805197) has the molecular formula C7H3F2N3O2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
PubChem CID118805197
Molecular FormulaC7H3F2N3O2
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Name5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])ncc1C(F)F
InChIInChI=1S/C7H3F2N3O2/c8-7(9)5-3-11-6(12(13)14)1-4(5)2-10/h1,3,7H
InChIKeyGZZAMAGYYSNOSO-UHFFFAOYSA-N
XLogP1.80
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.80
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-bromo-2-nitropyridine-4-carbonitrile
CID 130822879
2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118835055
5-methyl-2-nitropyridine-4-carbonitrile
CID 130882293
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097382
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile (CID 118805197) is 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile is N#Cc1cc([N+](=O)[O-])ncc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The InChIKey is GZZAMAGYYSNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O2/c8-7(9)5-3-11-6(12(13)14)1-4(5)2-10/h1,3,7H.
What are the key properties of 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile has a molecular weight of 199.12 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-nitropyridine-4-carbonitrile is sourced from PubChem (CID 118805197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).