(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol

C10H13NO2 — CID 114939091

IUPAC(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol
SMILESCOc1ccc(/C=C/C(C)O)cn1
InChIInChI=1S/C10H13NO2/c1-8(12)3-4-9-5-6-10(13-2)11-7-9/h3-8,12H,1-2H3/b4-3+
InChIKeyXQXBBDIKBUSWMI-ONEGZZNKSA-N
MW179.22 g/mol
LogP1.48
Rot. Bonds3

About (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol

(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol (PubChem CID 114939091) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol
PubChem CID114939091
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol
SMILESCOc1ccc(/C=C/C(C)O)cn1
InChIInChI=1S/C10H13NO2/c1-8(12)3-4-9-5-6-10(13-2)11-7-9/h3-8,12H,1-2H3/b4-3+
InChIKeyXQXBBDIKBUSWMI-ONEGZZNKSA-N
XLogP1.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(Z)-2-methoxyethenyl]pyridine
CID 45091043
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
(Z)-4-(6-methoxy-3-pyridinyl)-3-methylbut-3-en-2-amine
CID 103091947
6-methoxypyridine-3-carbaldehyde
CID 3364576
2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 114938188
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
2-methoxy-5-[(Z)-2-nitrosoprop-1-enyl]pyridine
CID 89164549
(2R)-4-(4-methylphenyl)but-3-en-2-ol
CID 131852428
(1E,4E)-1-(2-methoxy-4-pyridinyl)-5-(6-methoxy-3-pyridinyl)penta-1,4-dien-3-one
CID 58442631

Frequently Asked Questions

What is the IUPAC name of (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol (CID 114939091) is (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol is COc1ccc(/C=C/C(C)O)cn1.
What is the InChIKey of (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol?
The InChIKey is XQXBBDIKBUSWMI-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)3-4-9-5-6-10(13-2)11-7-9/h3-8,12H,1-2H3/b4-3+.
What are the key properties of (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol?
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol has a molecular weight of 179.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-ol is sourced from PubChem (CID 114939091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).