1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol

C14H23NO3 — CID 103459699

IUPAC1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
SMILESCCOc1cncc(C(O)C(O)C(CC)CC)c1
InChIInChI=1S/C14H23NO3/c1-4-10(5-2)13(16)14(17)11-7-12(18-6-3)9-15-8-11/h7-10,13-14,16-17H,4-6H2,1-3H3
InChIKeyZNBQPCSIGPDYOM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.31
Rot. Bonds7

About 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol

1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol (PubChem CID 103459699) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
PubChem CID103459699
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
SMILESCCOc1cncc(C(O)C(O)C(CC)CC)c1
InChIInChI=1S/C14H23NO3/c1-4-10(5-2)13(16)14(17)11-7-12(18-6-3)9-15-8-11/h7-10,13-14,16-17H,4-6H2,1-3H3
InChIKeyZNBQPCSIGPDYOM-UHFFFAOYSA-N
XLogP2.31
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
CID 103459693
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 107947736
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
(1,3-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methanol
CID 83091118
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
tert-butyl 3-amino-3-(5-ethoxy-3-pyridinyl)propanoate
CID 20674687
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol (CID 103459699) is 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol is CCOc1cncc(C(O)C(O)C(CC)CC)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol?
The InChIKey is ZNBQPCSIGPDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-10(5-2)13(16)14(17)11-7-12(18-6-3)9-15-8-11/h7-10,13-14,16-17H,4-6H2,1-3H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol?
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol is sourced from PubChem (CID 103459699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).