1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium

C10H14F3N2+ — CID 76787438

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium
SMILESCCCC([NH3+])c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2/c1-2-4-7(14)8-5-3-6-9(15-8)10(11,12)13/h3,5-7H,2,4,14H2,1H3/p+1
InChIKeyNJRLOYLAMJQUKW-UHFFFAOYSA-O
MW219.23 g/mol
LogP2.18
Rot. Bonds3

About 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium

1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium (PubChem CID 76787438) has the molecular formula C10H14F3N2+ and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium
PubChem CID76787438
Molecular FormulaC10H14F3N2+
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium
SMILESCCCC([NH3+])c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2/c1-2-4-7(14)8-5-3-6-9(15-8)10(11,12)13/h3,5-7H,2,4,14H2,1H3/p+1
InChIKeyNJRLOYLAMJQUKW-UHFFFAOYSA-O
XLogP2.18
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloropentan-3-yl)-6-(trifluoromethyl)pyridine
CID 63203059
[6-(trifluoromethyl)-2-pyridinyl]methanediamine
CID 135243406
N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
CID 63198163
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
4-sulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]butane-1,2-diol
CID 171874500
3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol
CID 171858349
3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 163265613
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
CID 174625621
2-(2-methylpentan-2-yl)-6-propan-2-ylpyridine
CID 129015517
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 113268493
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium (CID 76787438) is 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium is CCCC([NH3+])c1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium?
The InChIKey is NJRLOYLAMJQUKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13F3N2/c1-2-4-7(14)8-5-3-6-9(15-8)10(11,12)13/h3,5-7H,2,4,14H2,1H3/p+1.
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium?
1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium has a molecular weight of 219.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium is sourced from PubChem (CID 76787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).