2-(6-chloro-2-methyl-3-pyridinyl)ethanol

C8H10ClNO — CID 87555750

IUPAC2-(6-chloro-2-methyl-3-pyridinyl)ethanol
SMILESCc1nc(Cl)ccc1CCO
InChIInChI=1S/C8H10ClNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,11H,4-5H2,1H3
InChIKeyFCOSPSYTPJKDEA-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.58
Rot. Bonds2

About 2-(6-chloro-2-methyl-3-pyridinyl)ethanol

2-(6-chloro-2-methyl-3-pyridinyl)ethanol (PubChem CID 87555750) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-3-pyridinyl)ethanol
PubChem CID87555750
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(6-chloro-2-methyl-3-pyridinyl)ethanol
SMILESCc1nc(Cl)ccc1CCO
InChIInChI=1S/C8H10ClNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,11H,4-5H2,1H3
InChIKeyFCOSPSYTPJKDEA-UHFFFAOYSA-N
XLogP1.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(6-chloro-2-methyl-3-pyridinyl)ethanol (CID 87555750) is 2-(6-chloro-2-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-chloro-2-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(6-chloro-2-methyl-3-pyridinyl)ethanol is Cc1nc(Cl)ccc1CCO.
What is the InChIKey of 2-(6-chloro-2-methyl-3-pyridinyl)ethanol?
The InChIKey is FCOSPSYTPJKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,11H,4-5H2,1H3.
What are the key properties of 2-(6-chloro-2-methyl-3-pyridinyl)ethanol?
2-(6-chloro-2-methyl-3-pyridinyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 87555750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).