2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine

C11H14F3N3O — CID 114271754

IUPAC2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
SMILESCOc1nc(N2CCC(C(F)(F)F)C2)ccc1N
InChIInChI=1S/C11H14F3N3O/c1-18-10-8(15)2-3-9(16-10)17-5-4-7(6-17)11(12,13)14/h2-3,7H,4-6,15H2,1H3
InChIKeyDTIJOVZOLHOOAJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.06
Rot. Bonds2

About 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine

2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine (PubChem CID 114271754) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
PubChem CID114271754
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
SMILESCOc1nc(N2CCC(C(F)(F)F)C2)ccc1N
InChIInChI=1S/C11H14F3N3O/c1-18-10-8(15)2-3-9(16-10)17-5-4-7(6-17)11(12,13)14/h2-3,7H,4-6,15H2,1H3
InChIKeyDTIJOVZOLHOOAJ-UHFFFAOYSA-N
XLogP2.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The IUPAC name of 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine (CID 114271754) is 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine is COc1nc(N2CCC(C(F)(F)F)C2)ccc1N.
What is the InChIKey of 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The InChIKey is DTIJOVZOLHOOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10-8(15)2-3-9(16-10)17-5-4-7(6-17)11(12,13)14/h2-3,7H,4-6,15H2,1H3.
What are the key properties of 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine has a molecular weight of 261.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 114271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).