1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol

C13H21NO2 — CID 103456372

IUPAC1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
SMILESCCc1ccc(CC(O)C(O)C(C)C)nc1
InChIInChI=1S/C13H21NO2/c1-4-10-5-6-11(14-8-10)7-12(15)13(16)9(2)3/h5-6,8-9,12-13,15-16H,4,7H2,1-3H3
InChIKeyPPUKRFAWFYLGOX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds5

About 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol

1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol (PubChem CID 103456372) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
PubChem CID103456372
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
SMILESCCc1ccc(CC(O)C(O)C(C)C)nc1
InChIInChI=1S/C13H21NO2/c1-4-10-5-6-11(14-8-10)7-12(15)13(16)9(2)3/h5-6,8-9,12-13,15-16H,4,7H2,1-3H3
InChIKeyPPUKRFAWFYLGOX-UHFFFAOYSA-N
XLogP1.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
CID 79739459
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol (CID 103456372) is 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol is CCc1ccc(CC(O)C(O)C(C)C)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol?
The InChIKey is PPUKRFAWFYLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-10-5-6-11(14-8-10)7-12(15)13(16)9(2)3/h5-6,8-9,12-13,15-16H,4,7H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol?
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol has a molecular weight of 223.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol is sourced from PubChem (CID 103456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).