(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol

C12H17NO3 — CID 115828914

IUPAC(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
SMILESCOc1cncc(C(O)C2CCCCO2)c1
InChIInChI=1S/C12H17NO3/c1-15-10-6-9(7-13-8-10)12(14)11-4-2-3-5-16-11/h6-8,11-12,14H,2-5H2,1H3
InChIKeyVITFJUNJUSILNS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.69
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol

(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol (PubChem CID 115828914) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
PubChem CID115828914
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
SMILESCOc1cncc(C(O)C2CCCCO2)c1
InChIInChI=1S/C12H17NO3/c1-15-10-6-9(7-13-8-10)12(14)11-4-2-3-5-16-11/h6-8,11-12,14H,2-5H2,1H3
InChIKeyVITFJUNJUSILNS-UHFFFAOYSA-N
XLogP1.69
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
CID 115828844
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
(5-methoxy-3-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680797
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
furan-3-yl(oxan-2-yl)methanol
CID 115797283

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol?
The IUPAC name of (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol (CID 115828914) is (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol is COc1cncc(C(O)C2CCCCO2)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol?
The InChIKey is VITFJUNJUSILNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-6-9(7-13-8-10)12(14)11-4-2-3-5-16-11/h6-8,11-12,14H,2-5H2,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol?
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol has a molecular weight of 223.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 115828914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).