1-(3-chloro-5-methyl-4-pyridinyl)ethanol

C8H10ClNO — CID 84654254

IUPAC1-(3-chloro-5-methyl-4-pyridinyl)ethanol
SMILESCc1cncc(Cl)c1C(C)O
InChIInChI=1S/C8H10ClNO/c1-5-3-10-4-7(9)8(5)6(2)11/h3-4,6,11H,1-2H3
InChIKeyNGZIWFXKFPLGIH-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.10
Rot. Bonds1

About 1-(3-chloro-5-methyl-4-pyridinyl)ethanol

1-(3-chloro-5-methyl-4-pyridinyl)ethanol (PubChem CID 84654254) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4-pyridinyl)ethanol
PubChem CID84654254
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(3-chloro-5-methyl-4-pyridinyl)ethanol
SMILESCc1cncc(Cl)c1C(C)O
InChIInChI=1S/C8H10ClNO/c1-5-3-10-4-7(9)8(5)6(2)11/h3-4,6,11H,1-2H3
InChIKeyNGZIWFXKFPLGIH-UHFFFAOYSA-N
XLogP2.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)ethanol?
The IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)ethanol (CID 84654254) is 1-(3-chloro-5-methyl-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-methyl-4-pyridinyl)ethanol?
The canonical SMILES for 1-(3-chloro-5-methyl-4-pyridinyl)ethanol is Cc1cncc(Cl)c1C(C)O.
What is the InChIKey of 1-(3-chloro-5-methyl-4-pyridinyl)ethanol?
The InChIKey is NGZIWFXKFPLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-3-10-4-7(9)8(5)6(2)11/h3-4,6,11H,1-2H3.
What are the key properties of 1-(3-chloro-5-methyl-4-pyridinyl)ethanol?
1-(3-chloro-5-methyl-4-pyridinyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4-pyridinyl)ethanol is sourced from PubChem (CID 84654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).