6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile

C8H2F5N3O2 — CID 134675519

IUPAC6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H2F5N3O2/c9-7(10)5-4(16(17)18)1-3(2-14)6(15-5)8(11,12)13/h1,7H
InChIKeyBILRWMJVMNAYKW-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.82
Rot. Bonds2

About 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile

6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 134675519) has the molecular formula C8H2F5N3O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID134675519
Molecular FormulaC8H2F5N3O2
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H2F5N3O2/c9-7(10)5-4(16(17)18)1-3(2-14)6(15-5)8(11,12)13/h1,7H
InChIKeyBILRWMJVMNAYKW-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

6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197
2-[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118826099
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-(cyanomethyl)-5-nitro-4-(trifluoromethyl)benzonitrile
CID 170996488
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile (CID 134675519) is 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BILRWMJVMNAYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5N3O2/c9-7(10)5-4(16(17)18)1-3(2-14)6(15-5)8(11,12)13/h1,7H.
What are the key properties of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile?
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-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 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134675519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).