2-(6-chloro-3-pyridinyl)propan-2-ol

C8H10ClNO — CID 12562118

IUPAC2-(6-chloro-3-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H10ClNO/c1-8(2,11)6-3-4-7(9)10-5-6/h3-5,11H,1-2H3
InChIKeyJLHGXOFXIAHWPC-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.96
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)propan-2-ol

2-(6-chloro-3-pyridinyl)propan-2-ol (PubChem CID 12562118) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)propan-2-ol
PubChem CID12562118
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(6-chloro-3-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H10ClNO/c1-8(2,11)6-3-4-7(9)10-5-6/h3-5,11H,1-2H3
InChIKeyJLHGXOFXIAHWPC-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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-3-pyridinyl)propan-2-ol?
The IUPAC name of 2-(6-chloro-3-pyridinyl)propan-2-ol (CID 12562118) is 2-(6-chloro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)propan-2-ol is CC(C)(O)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)propan-2-ol?
The InChIKey is JLHGXOFXIAHWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-8(2,11)6-3-4-7(9)10-5-6/h3-5,11H,1-2H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)propan-2-ol?
2-(6-chloro-3-pyridinyl)propan-2-ol has a molecular weight of 171.63 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 12562118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).