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

C10H13FN2O2 — CID 106102698

IUPAC3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ccnc(F)c2)CCOC1
InChIInChI=1S/C10H13FN2O2/c11-9-5-8(1-3-12-9)13-6-10(14)2-4-15-7-10/h1,3,5,14H,2,4,6-7H2,(H,12,13)
InChIKeySNMIOTPQCULZGU-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.78
Rot. Bonds3

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

3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 106102698) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID106102698
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ccnc(F)c2)CCOC1
InChIInChI=1S/C10H13FN2O2/c11-9-5-8(1-3-12-9)13-6-10(14)2-4-15-7-10/h1,3,5,14H,2,4,6-7H2,(H,12,13)
InChIKeySNMIOTPQCULZGU-UHFFFAOYSA-N
XLogP0.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol (CID 106102698) is 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol is OC1(CNc2ccnc(F)c2)CCOC1.
What is the InChIKey of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is SNMIOTPQCULZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-9-5-8(1-3-12-9)13-6-10(14)2-4-15-7-10/h1,3,5,14H,2,4,6-7H2,(H,12,13).
What are the key properties of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 212.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).