2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile

C7HF5N2 — CID 141497615

IUPAC2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(F)nc1F
InChIInChI=1S/C7HF5N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKeyRJDPUQGGJCGUJJ-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.25
Rot. Bonds

About 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile

2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 141497615) has the molecular formula C7HF5N2 and a molecular weight of 208.09 g/mol. Its IUPAC name is 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID141497615
Molecular FormulaC7HF5N2
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(F)nc1F
InChIInChI=1S/C7HF5N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKeyRJDPUQGGJCGUJJ-UHFFFAOYSA-N
XLogP2.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
2-bromo-4-chloro-6-(trifluoromethyl)benzonitrile
CID 154667046
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
2-iodo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171783031
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-thiolate
CID 7063940
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 170598975
4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
CID 134623563
3-chloro-2,6-difluoropyridine-4-carbonitrile
CID 133081070
2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 57336351
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130077456

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 141497615) is 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(F)nc1F.
What is the InChIKey of 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RJDPUQGGJCGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF5N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H.
What are the key properties of 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile?
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 208.09 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 141497615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).