1,4-dioxan-2-yl(pyridin-3-yl)methanol

C10H13NO3 — CID 65350860

IUPAC1,4-dioxan-2-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)C1COCCO1
InChIInChI=1S/C10H13NO3/c12-10(8-2-1-3-11-6-8)9-7-13-4-5-14-9/h1-3,6,9-10,12H,4-5,7H2
InChIKeyJIYRFWDRXNBAJV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds2

About 1,4-dioxan-2-yl(pyridin-3-yl)methanol

1,4-dioxan-2-yl(pyridin-3-yl)methanol (PubChem CID 65350860) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl(pyridin-3-yl)methanol
PubChem CID65350860
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1,4-dioxan-2-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)C1COCCO1
InChIInChI=1S/C10H13NO3/c12-10(8-2-1-3-11-6-8)9-7-13-4-5-14-9/h1-3,6,9-10,12H,4-5,7H2
InChIKeyJIYRFWDRXNBAJV-UHFFFAOYSA-N
XLogP0.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
(4-methylmorpholin-2-yl)-pyridin-3-ylmethanol
CID 79087770
1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
3-[1-(oxiran-2-yl)ethyl]pyridine
CID 22465341
2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
CID 55120197
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
(2-ethylcyclohexyl)-pyridin-3-ylmethanol
CID 63863632
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol
CID 129362423
2-(oxolan-3-yloxy)-2-pyridin-3-ylethanamine
CID 63558620

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(pyridin-3-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl(pyridin-3-yl)methanol (CID 65350860) is 1,4-dioxan-2-yl(pyridin-3-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl(pyridin-3-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl(pyridin-3-yl)methanol is OC(c1cccnc1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(pyridin-3-yl)methanol?
The InChIKey is JIYRFWDRXNBAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(8-2-1-3-11-6-8)9-7-13-4-5-14-9/h1-3,6,9-10,12H,4-5,7H2.
What are the key properties of 1,4-dioxan-2-yl(pyridin-3-yl)methanol?
1,4-dioxan-2-yl(pyridin-3-yl)methanol has a molecular weight of 195.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 65350860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).