(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol

C11H17NO2 — CID 145499112

IUPAC(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
SMILESCCOc1ccc([C@H](C)CCO)cn1
InChIInChI=1S/C11H17NO2/c1-3-14-11-5-4-10(8-12-11)9(2)6-7-13/h4-5,8-9,13H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyZXTOVVPFBHMMGP-SECBINFHSA-N
MW195.26 g/mol
LogP1.97
Rot. Bonds5

About (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol

(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol (PubChem CID 145499112) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
PubChem CID145499112
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
SMILESCCOc1ccc([C@H](C)CCO)cn1
InChIInChI=1S/C11H17NO2/c1-3-14-11-5-4-10(8-12-11)9(2)6-7-13/h4-5,8-9,13H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyZXTOVVPFBHMMGP-SECBINFHSA-N
XLogP1.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
3-(6-ethoxypyridazin-3-yl)butan-1-ol
CID 57195840
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
CID 55294382
2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine
CID 167162269
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
3-pyridin-3-ylbutan-1-ol
CID 23506282
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol?
The IUPAC name of (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol (CID 145499112) is (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol.
What is the SMILES notation for (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol?
The canonical SMILES for (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol is CCOc1ccc([C@H](C)CCO)cn1.
What is the InChIKey of (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol?
The InChIKey is ZXTOVVPFBHMMGP-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-14-11-5-4-10(8-12-11)9(2)6-7-13/h4-5,8-9,13H,3,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol?
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 145499112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).