2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H18F3N3 — CID 78965942

IUPAC2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CCCCCCC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)13-9-8-11(10-19)14(21-13)20-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7H2,(H,20,21)
InChIKeyRKMDREKIOGRLLU-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.50
Rot. Bonds2

About 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78965942) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78965942
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CCCCCCC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)13-9-8-11(10-19)14(21-13)20-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7H2,(H,20,21)
InChIKeyRKMDREKIOGRLLU-UHFFFAOYSA-N
XLogP4.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78965942) is 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RKMDREKIOGRLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)13-9-8-11(10-19)14(21-13)20-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7H2,(H,20,21).
What are the key properties of 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78965942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).