3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol

C13H17NO2 — CID 105124497

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2=COCCC2)c(C)n1
InChIInChI=1S/C13H17NO2/c1-9-5-6-12(10(2)14-9)13(15)11-4-3-7-16-8-11/h5-6,8,13,15H,3-4,7H2,1-2H3
InChIKeyMQJHNNXPHYXICE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.43
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol

3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol (PubChem CID 105124497) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol
PubChem CID105124497
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2=COCCC2)c(C)n1
InChIInChI=1S/C13H17NO2/c1-9-5-6-12(10(2)14-9)13(15)11-4-3-7-16-8-11/h5-6,8,13,15H,3-4,7H2,1-2H3
InChIKeyMQJHNNXPHYXICE-UHFFFAOYSA-N
XLogP2.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106859492
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
3,4-dihydro-2H-pyran-5-yl(quinoxalin-5-yl)methanol
CID 105124475
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798
(5-chlorofuran-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106693982
3,4-dihydro-2H-pyran-5-yl(pyrazolo[1,5-a]pyridin-3-yl)methanol
CID 103129177
(2,6-dimethyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 115604819
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831444
(2,4-dimethylphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 115604805
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
(4-cyclopropylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 113370484

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol (CID 105124497) is 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol is Cc1ccc(C(O)C2=COCCC2)c(C)n1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol?
The InChIKey is MQJHNNXPHYXICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-6-12(10(2)14-9)13(15)11-4-3-7-16-8-11/h5-6,8,13,15H,3-4,7H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol?
3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol has a molecular weight of 219.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol is sourced from PubChem (CID 105124497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).