3-(6-methoxy-2-pyridinyl)butan-2-ol

C10H15NO2 — CID 63588761

IUPAC3-(6-methoxy-2-pyridinyl)butan-2-ol
SMILESCOc1cccc(C(C)C(C)O)n1
InChIInChI=1S/C10H15NO2/c1-7(8(2)12)9-5-4-6-10(11-9)13-3/h4-8,12H,1-3H3
InChIKeyPCOQFXICJMTULT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.57
Rot. Bonds3

About 3-(6-methoxy-2-pyridinyl)butan-2-ol

3-(6-methoxy-2-pyridinyl)butan-2-ol (PubChem CID 63588761) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)butan-2-ol
PubChem CID63588761
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(6-methoxy-2-pyridinyl)butan-2-ol
SMILESCOc1cccc(C(C)C(C)O)n1
InChIInChI=1S/C10H15NO2/c1-7(8(2)12)9-5-4-6-10(11-9)13-3/h4-8,12H,1-3H3
InChIKeyPCOQFXICJMTULT-UHFFFAOYSA-N
XLogP1.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 137495708
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
2-(6-methoxy-2-pyridinyl)pentan-3-amine
CID 63587617
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
3-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
[(6-methoxy-2-pyridinyl)-trimethylsilylmethyl]-trimethylsilane
CID 58835865
1-(6-methoxy-2-pyridinyl)ethylhydrazine
CID 53402364
2,3-dihydroxy-3-(6-methoxy-2-pyridinyl)propanamide
CID 171867949
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
2-(6-methoxy-2-pyridinyl)pentan-3-one
CID 63586128

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)butan-2-ol?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)butan-2-ol (CID 63588761) is 3-(6-methoxy-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)butan-2-ol?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)butan-2-ol is COc1cccc(C(C)C(C)O)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)butan-2-ol?
The InChIKey is PCOQFXICJMTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(8(2)12)9-5-4-6-10(11-9)13-3/h4-8,12H,1-3H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)butan-2-ol?
3-(6-methoxy-2-pyridinyl)butan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 63588761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).