3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol

C11H14F3N3O2 — CID 106099541

IUPAC3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol
SMILESNc1cnc(C(F)(F)F)cc1NCC1(O)CCOC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-8(7(15)4-16-9)17-5-10(18)1-2-19-6-10/h3-4,18H,1-2,5-6,15H2,(H,16,17)
InChIKeyLDCOBBYGNQZQBK-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.25
Rot. Bonds3

About 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol

3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol (PubChem CID 106099541) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol
PubChem CID106099541
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol
SMILESNc1cnc(C(F)(F)F)cc1NCC1(O)CCOC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-8(7(15)4-16-9)17-5-10(18)1-2-19-6-10/h3-4,18H,1-2,5-6,15H2,(H,16,17)
InChIKeyLDCOBBYGNQZQBK-UHFFFAOYSA-N
XLogP1.25
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol (CID 106099541) is 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol is Nc1cnc(C(F)(F)F)cc1NCC1(O)CCOC1.
What is the InChIKey of 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol?
The InChIKey is LDCOBBYGNQZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-8(7(15)4-16-9)17-5-10(18)1-2-19-6-10/h3-4,18H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol?
3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol has a molecular weight of 277.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).