(2-chloro-1H-pyridin-2-yl)methanol

C6H8ClNO — CID 53420265

IUPAC(2-chloro-1H-pyridin-2-yl)methanol
SMILESOCC1(Cl)C=CC=CN1
InChIInChI=1S/C6H8ClNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2
InChIKeyCSBMIHBMMSVTAI-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.59
Rot. Bonds1

About (2-chloro-1H-pyridin-2-yl)methanol

(2-chloro-1H-pyridin-2-yl)methanol (PubChem CID 53420265) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is (2-chloro-1H-pyridin-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-1H-pyridin-2-yl)methanol
PubChem CID53420265
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name(2-chloro-1H-pyridin-2-yl)methanol
SMILESOCC1(Cl)C=CC=CN1
InChIInChI=1S/C6H8ClNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2
InChIKeyCSBMIHBMMSVTAI-UHFFFAOYSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2-chloro-1H-pyridin-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1H-pyridin-2-yl)methanol?
The IUPAC name of (2-chloro-1H-pyridin-2-yl)methanol (CID 53420265) is (2-chloro-1H-pyridin-2-yl)methanol.
What is the SMILES notation for (2-chloro-1H-pyridin-2-yl)methanol?
The canonical SMILES for (2-chloro-1H-pyridin-2-yl)methanol is OCC1(Cl)C=CC=CN1.
What is the InChIKey of (2-chloro-1H-pyridin-2-yl)methanol?
The InChIKey is CSBMIHBMMSVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2.
What are the key properties of (2-chloro-1H-pyridin-2-yl)methanol?
(2-chloro-1H-pyridin-2-yl)methanol has a molecular weight of 145.59 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1H-pyridin-2-yl)methanol is sourced from PubChem (CID 53420265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).