(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol

C13H15NO2 — CID 115827884

IUPAC(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C13H15NO2/c1-8-4-11(7-14-6-8)13(15)12-5-9(2)16-10(12)3/h4-7,13,15H,1-3H3
InChIKeyBSIZEAQBVAJZNZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.68
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol

(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 115827884) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID115827884
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C13H15NO2/c1-8-4-11(7-14-6-8)13(15)12-5-9(2)16-10(12)3/h4-7,13,15H,1-3H3
InChIKeyBSIZEAQBVAJZNZ-UHFFFAOYSA-N
XLogP2.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
(2-chlorofuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 106693944
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(2-chloro-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 105397694
furan-2-yl-(5-methyl-3-pyridinyl)methanol
CID 115373621
(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
(5-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 115373637
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 79747617
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373656

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol (CID 115827884) is (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2cc(C)oc2C)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is BSIZEAQBVAJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-11(7-14-6-8)13(15)12-5-9(2)16-10(12)3/h4-7,13,15H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol?
(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 217.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115827884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).