5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile

C7H2F3N3O2 — CID 134685609

IUPAC5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H2F3N3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H
InChIKeyKCAAVFHUJIXBGY-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.94
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile

5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile (PubChem CID 134685609) has the molecular formula C7H2F3N3O2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
PubChem CID134685609
Molecular FormulaC7H2F3N3O2
Molecular Weight217.11 g/mol
Exact Mass217.01
IUPAC Name5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H2F3N3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H
InChIKeyKCAAVFHUJIXBGY-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

5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
CID 130081415
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107406
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile (CID 134685609) is 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(F)nc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile?
The InChIKey is KCAAVFHUJIXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H.
What are the key properties of 5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile?
5-(difluoromethyl)-6-fluoro-2-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-2-nitropyridine-3-carbonitrile is sourced from PubChem (CID 134685609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).