1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol

C11H14F3N3O — CID 112737651

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2
InChIKeyFJUZFGHVYKRQDW-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.04
Rot. Bonds2

About 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol

1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737651) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737651
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2
InChIKeyFJUZFGHVYKRQDW-UHFFFAOYSA-N
XLogP1.04
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737651) is 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol is NCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is FJUZFGHVYKRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).