3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol

C12H15NO3 — CID 105124451

IUPAC3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)C1=COCCC1
InChIInChI=1S/C12H15NO3/c1-15-12-10(5-2-6-13-12)11(14)9-4-3-7-16-8-9/h2,5-6,8,11,14H,3-4,7H2,1H3
InChIKeyIVAHJNGGVIEIAX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.82
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol

3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol (PubChem CID 105124451) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol
PubChem CID105124451
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)C1=COCCC1
InChIInChI=1S/C12H15NO3/c1-15-12-10(5-2-6-13-12)11(14)9-4-3-7-16-8-9/h2,5-6,8,11,14H,3-4,7H2,1H3
InChIKeyIVAHJNGGVIEIAX-UHFFFAOYSA-N
XLogP1.82
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol (CID 105124451) is 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol is COc1ncccc1C(O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol?
The InChIKey is IVAHJNGGVIEIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12-10(5-2-6-13-12)11(14)9-4-3-7-16-8-9/h2,5-6,8,11,14H,3-4,7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol?
3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol has a molecular weight of 221.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 105124451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).