2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine

C10H12F3N3 — CID 137449340

IUPAC2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
SMILESNc1cc(N2CCCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-5-7(14)6-9(15-8)16-3-1-2-4-16/h5-6H,1-4H2,(H2,14,15)
InChIKeyVDUUMZBUSWGBQH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.28
Rot. Bonds1

About 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine

2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 137449340) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
PubChem CID137449340
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
SMILESNc1cc(N2CCCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-5-7(14)6-9(15-8)16-3-1-2-4-16/h5-6H,1-4H2,(H2,14,15)
InChIKeyVDUUMZBUSWGBQH-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine (CID 137449340) is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine is Nc1cc(N2CCCC2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is VDUUMZBUSWGBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-5-7(14)6-9(15-8)16-3-1-2-4-16/h5-6H,1-4H2,(H2,14,15).
What are the key properties of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine?
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 137449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).