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

C12H13NO3 — CID 104800797

IUPAC(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol
SMILESCOc1cncc(C(O)c2occc2C)c1
InChIInChI=1S/C12H13NO3/c1-8-3-4-16-12(8)11(14)9-5-10(15-2)7-13-6-9/h3-7,11,14H,1-2H3
InChIKeyDXAFYYCZZOFAON-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.07
Rot. Bonds3

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

(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol (PubChem CID 104800797) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol
PubChem CID104800797
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol
SMILESCOc1cncc(C(O)c2occc2C)c1
InChIInChI=1S/C12H13NO3/c1-8-3-4-16-12(8)11(14)9-5-10(15-2)7-13-6-9/h3-7,11,14H,1-2H3
InChIKeyDXAFYYCZZOFAON-UHFFFAOYSA-N
XLogP2.07
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(5-chlorofuran-2-yl)-(5-methoxy-3-pyridinyl)methanol
CID 106693953
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
(5-methoxy-3-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 114557064
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(5-methoxy-3-pyridinyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950306
(5-methoxy-3-pyridinyl)-(thiadiazol-4-yl)methanol
CID 105121227
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol (CID 104800797) is (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol is COc1cncc(C(O)c2occc2C)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol?
The InChIKey is DXAFYYCZZOFAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-3-4-16-12(8)11(14)9-5-10(15-2)7-13-6-9/h3-7,11,14H,1-2H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol?
(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol has a molecular weight of 219.24 g/mol, XLogP of 2.07, 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)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 104800797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).