(2-chloro-3-pyridinyl)methanol

C6H6ClNO — CID 2763647

IUPAC(2-chloro-3-pyridinyl)methanol
SMILESOCc1cccnc1Cl
InChIInChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKeyHMPDWSBKPCOQDW-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.23
Rot. Bonds1

About (2-chloro-3-pyridinyl)methanol

(2-chloro-3-pyridinyl)methanol (PubChem CID 2763647) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methanol
PubChem CID2763647
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name(2-chloro-3-pyridinyl)methanol
SMILESOCc1cccnc1Cl
InChIInChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKeyHMPDWSBKPCOQDW-UHFFFAOYSA-N
XLogP1.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-3-pyridinyl)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-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-3-pyridinyl)methanol (CID 2763647) is (2-chloro-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)methanol is OCc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)methanol?
The InChIKey is HMPDWSBKPCOQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2.
What are the key properties of (2-chloro-3-pyridinyl)methanol?
(2-chloro-3-pyridinyl)methanol has a molecular weight of 143.57 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 2763647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).