1,2-diethyl-2H-pyridin-3-ol

C9H15NO — CID 160789382

IUPAC1,2-diethyl-2H-pyridin-3-ol
SMILESCCC1C(O)=CC=CN1CC
InChIInChI=1S/C9H15NO/c1-3-8-9(11)6-5-7-10(8)4-2/h5-8,11H,3-4H2,1-2H3
InChIKeySBQDWLQRYWCANV-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.06
Rot. Bonds2

About 1,2-diethyl-2H-pyridin-3-ol

1,2-diethyl-2H-pyridin-3-ol (PubChem CID 160789382) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,2-diethyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name1,2-diethyl-2H-pyridin-3-ol
PubChem CID160789382
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,2-diethyl-2H-pyridin-3-ol
SMILESCCC1C(O)=CC=CN1CC
InChIInChI=1S/C9H15NO/c1-3-8-9(11)6-5-7-10(8)4-2/h5-8,11H,3-4H2,1-2H3
InChIKeySBQDWLQRYWCANV-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2H-pyridin-3-ol?
The IUPAC name of 1,2-diethyl-2H-pyridin-3-ol (CID 160789382) is 1,2-diethyl-2H-pyridin-3-ol.
What is the SMILES notation for 1,2-diethyl-2H-pyridin-3-ol?
The canonical SMILES for 1,2-diethyl-2H-pyridin-3-ol is CCC1C(O)=CC=CN1CC.
What is the InChIKey of 1,2-diethyl-2H-pyridin-3-ol?
The InChIKey is SBQDWLQRYWCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-9(11)6-5-7-10(8)4-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-2H-pyridin-3-ol?
1,2-diethyl-2H-pyridin-3-ol has a molecular weight of 153.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2H-pyridin-3-ol is sourced from PubChem (CID 160789382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).