6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol

C14H20F3N3O — CID 78928424

IUPAC6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C14H20F3N3O/c1-10-2-3-13(21)12(19-10)7-18-6-11-4-5-20(8-11)9-14(15,16)17/h2-3,11,18,21H,4-9H2,1H3
InChIKeyVJQSBJJURHNWIQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.07
Rot. Bonds5

About 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol

6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol (PubChem CID 78928424) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
PubChem CID78928424
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C14H20F3N3O/c1-10-2-3-13(21)12(19-10)7-18-6-11-4-5-20(8-11)9-14(15,16)17/h2-3,11,18,21H,4-9H2,1H3
InChIKeyVJQSBJJURHNWIQ-UHFFFAOYSA-N
XLogP2.07
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol (CID 78928424) is 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?
The InChIKey is VJQSBJJURHNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10-2-3-13(21)12(19-10)7-18-6-11-4-5-20(8-11)9-14(15,16)17/h2-3,11,18,21H,4-9H2,1H3.
What are the key properties of 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?
6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol has a molecular weight of 303.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 78928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).