1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C13H19FN2O2 — CID 112586826

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1(CN)CCOC1
InChIInChI=1S/C13H19FN2O2/c1-2-13(17,11-4-3-10(14)7-16-11)12(8-15)5-6-18-9-12/h3-4,7,17H,2,5-6,8-9,15H2,1H3
InChIKeyNYMOYSUUMNNLPQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.18
Rot. Bonds4

About 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112586826) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112586826
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1(CN)CCOC1
InChIInChI=1S/C13H19FN2O2/c1-2-13(17,11-4-3-10(14)7-16-11)12(8-15)5-6-18-9-12/h3-4,7,17H,2,5-6,8-9,15H2,1H3
InChIKeyNYMOYSUUMNNLPQ-UHFFFAOYSA-N
XLogP1.18
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112586826) is 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCC(O)(c1ccc(F)cn1)C1(CN)CCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is NYMOYSUUMNNLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-13(17,11-4-3-10(14)7-16-11)12(8-15)5-6-18-9-12/h3-4,7,17H,2,5-6,8-9,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112586826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).