4-(trifluoromethyl)pyridin-1-ium-2-amine

C6H6F3N2+ — CID 7018848

IUPAC4-(trifluoromethyl)pyridin-1-ium-2-amine
SMILESNc1cc(C(F)(F)F)cc[nH+]1
InChIInChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)/p+1
InChIKeyRWGBXAQMUBGGKQ-UHFFFAOYSA-O
MW163.12 g/mol
LogP1.10
Rot. Bonds

About 4-(trifluoromethyl)pyridin-1-ium-2-amine

4-(trifluoromethyl)pyridin-1-ium-2-amine (PubChem CID 7018848) has the molecular formula C6H6F3N2+ and a molecular weight of 163.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyridin-1-ium-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)pyridin-1-ium-2-amine
PubChem CID7018848
Molecular FormulaC6H6F3N2+
Molecular Weight163.12 g/mol
Exact Mass163.05
IUPAC Name4-(trifluoromethyl)pyridin-1-ium-2-amine
SMILESNc1cc(C(F)(F)F)cc[nH+]1
InChIInChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)/p+1
InChIKeyRWGBXAQMUBGGKQ-UHFFFAOYSA-O
XLogP1.10
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyridin-1-ium-2-amine?
The IUPAC name of 4-(trifluoromethyl)pyridin-1-ium-2-amine (CID 7018848) is 4-(trifluoromethyl)pyridin-1-ium-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)pyridin-1-ium-2-amine?
The canonical SMILES for 4-(trifluoromethyl)pyridin-1-ium-2-amine is Nc1cc(C(F)(F)F)cc[nH+]1.
What is the InChIKey of 4-(trifluoromethyl)pyridin-1-ium-2-amine?
The InChIKey is RWGBXAQMUBGGKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)/p+1.
What are the key properties of 4-(trifluoromethyl)pyridin-1-ium-2-amine?
4-(trifluoromethyl)pyridin-1-ium-2-amine has a molecular weight of 163.12 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyridin-1-ium-2-amine is sourced from PubChem (CID 7018848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).