2-chloro-1-pyridin-2-ylethanol

C7H8ClNO — CID 22145518

IUPAC2-chloro-1-pyridin-2-ylethanol
SMILESOC(CCl)c1ccccn1
InChIInChI=1S/C7H8ClNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4,7,10H,5H2
InChIKeyYHDIDLOCGVFSCB-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.35
Rot. Bonds2

About 2-chloro-1-pyridin-2-ylethanol

2-chloro-1-pyridin-2-ylethanol (PubChem CID 22145518) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-chloro-1-pyridin-2-ylethanol
PubChem CID22145518
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-chloro-1-pyridin-2-ylethanol
SMILESOC(CCl)c1ccccn1
InChIInChI=1S/C7H8ClNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4,7,10H,5H2
InChIKeyYHDIDLOCGVFSCB-UHFFFAOYSA-N
XLogP1.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-pyridin-2-ylethanol with MolForge

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

Launch Full Analysis

Related Compounds

1,2-dipyridin-2-ylethanol
CID 11458306
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
CID 167327930
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
CID 172780589
CID 172780589
1-pyridin-2-ylpent-3-yn-1-ol
CID 62309977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-pyridin-2-ylethanol?
The IUPAC name of 2-chloro-1-pyridin-2-ylethanol (CID 22145518) is 2-chloro-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-chloro-1-pyridin-2-ylethanol?
The canonical SMILES for 2-chloro-1-pyridin-2-ylethanol is OC(CCl)c1ccccn1.
What is the InChIKey of 2-chloro-1-pyridin-2-ylethanol?
The InChIKey is YHDIDLOCGVFSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4,7,10H,5H2.
What are the key properties of 2-chloro-1-pyridin-2-ylethanol?
2-chloro-1-pyridin-2-ylethanol has a molecular weight of 157.60 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-pyridin-2-ylethanol is sourced from PubChem (CID 22145518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).