6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile

C10H9F3N2O — CID 82788068

IUPAC6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)4-1-5-16-9-3-2-8(6-14)7-15-9/h2-3,7H,1,4-5H2
InChIKeyNWFKWMHWGCASIL-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.67
Rot. Bonds4

About 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile

6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile (PubChem CID 82788068) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
PubChem CID82788068
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)4-1-5-16-9-3-2-8(6-14)7-15-9/h2-3,7H,1,4-5H2
InChIKeyNWFKWMHWGCASIL-UHFFFAOYSA-N
XLogP2.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
3-amino-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326203
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
3,5-dimethyl-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326406
6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
CID 157021835

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile (CID 82788068) is 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile is N#Cc1ccc(OCCCC(F)(F)F)nc1.
What is the InChIKey of 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile?
The InChIKey is NWFKWMHWGCASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)4-1-5-16-9-3-2-8(6-14)7-15-9/h2-3,7H,1,4-5H2.
What are the key properties of 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile?
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 82788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).