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

C9H16ClNO — CID 160789381

IUPAC1,2-diethyl-2H-pyridin-3-ol;hydrochloride
SMILESCCC1C(O)=CC=CN1CC.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-8-9(11)6-5-7-10(8)4-2;/h5-8,11H,3-4H2,1-2H3;1H
InChIKeyPCTGIEBPWKSKEN-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.48
Rot. Bonds2

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

1,2-diethyl-2H-pyridin-3-ol;hydrochloride (PubChem CID 160789381) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1,2-diethyl-2H-pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name1,2-diethyl-2H-pyridin-3-ol;hydrochloride
PubChem CID160789381
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1,2-diethyl-2H-pyridin-3-ol;hydrochloride
SMILESCCC1C(O)=CC=CN1CC.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-8-9(11)6-5-7-10(8)4-2;/h5-8,11H,3-4H2,1-2H3;1H
InChIKeyPCTGIEBPWKSKEN-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-2H-pyridin-3-ol
CID 411673
2-methyl-1-prop-2-enyl-2H-pyridin-3-ol
CID 67866577
1-methyl-8aH-quinolin-8-ol
CID 117829643
6-(Diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
CID 142862938
1-ethyl-2-methyl-2H-pyridin-3-ol
CID 151875737
(3E)-2-[methyl-[(Z)-prop-1-enyl]amino]hexa-3,5-dien-3-ol
CID 156341758
(3R)-3-[(3E,6Z,9E)-3-methyl-2-methylidene-1-azacycloundeca-3,6,9-trien-1-yl]pent-1-en-2-ol
CID 174150594
2-ethyl-1,4-dimethyl-2H-pyridin-3-ol
CID 175267353
1,2-diethyl-2H-pyridin-3-ol
CID 160789382

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2H-pyridin-3-ol;hydrochloride?
The IUPAC name of 1,2-diethyl-2H-pyridin-3-ol;hydrochloride (CID 160789381) is 1,2-diethyl-2H-pyridin-3-ol;hydrochloride.
What is the SMILES notation for 1,2-diethyl-2H-pyridin-3-ol;hydrochloride?
The canonical SMILES for 1,2-diethyl-2H-pyridin-3-ol;hydrochloride is CCC1C(O)=CC=CN1CC.Cl.
What is the InChIKey of 1,2-diethyl-2H-pyridin-3-ol;hydrochloride?
The InChIKey is PCTGIEBPWKSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-3-8-9(11)6-5-7-10(8)4-2;/h5-8,11H,3-4H2,1-2H3;1H.
What are the key properties of 1,2-diethyl-2H-pyridin-3-ol;hydrochloride?
1,2-diethyl-2H-pyridin-3-ol;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.48, 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;hydrochloride is sourced from PubChem (CID 160789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).