1-(3-chloro-4-pyridinyl)ethanol

C7H8ClNO — CID 67428643

IUPAC1-(3-chloro-4-pyridinyl)ethanol
SMILESCC(O)c1ccncc1Cl
InChIInChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3
InChIKeyJQOWLEAPTKFXJG-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.79
Rot. Bonds1

About 1-(3-chloro-4-pyridinyl)ethanol

1-(3-chloro-4-pyridinyl)ethanol (PubChem CID 67428643) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)ethanol
PubChem CID67428643
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name1-(3-chloro-4-pyridinyl)ethanol
SMILESCC(O)c1ccncc1Cl
InChIInChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3
InChIKeyJQOWLEAPTKFXJG-UHFFFAOYSA-N
XLogP1.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
CID 105110481
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110237
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 105163768
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
1-(7-chloroisoquinolin-5-yl)ethanol
CID 82575893
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)ethanol (CID 67428643) is 1-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)ethanol is CC(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is JQOWLEAPTKFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)ethanol?
1-(3-chloro-4-pyridinyl)ethanol has a molecular weight of 157.60 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 67428643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).