4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile

C15H13ClN2O2 — CID 175531896

IUPAC4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1ccc(C(O)c2cccc(Cl)n2)cc1CCO
InChIInChI=1S/C15H13ClN2O2/c16-14-3-1-2-13(18-14)15(20)11-4-5-12(9-17)10(8-11)6-7-19/h1-5,8,15,19-20H,6-7H2
InChIKeyFKOLAIWHHMRVGE-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.22
Rot. Bonds4

About 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile

4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile (PubChem CID 175531896) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile
PubChem CID175531896
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1ccc(C(O)c2cccc(Cl)n2)cc1CCO
InChIInChI=1S/C15H13ClN2O2/c16-14-3-1-2-13(18-14)15(20)11-4-5-12(9-17)10(8-11)6-7-19/h1-5,8,15,19-20H,6-7H2
InChIKeyFKOLAIWHHMRVGE-UHFFFAOYSA-N
XLogP2.22
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile 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

methyl 2-[4-bromo-2-[2-[5-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-cyanophenyl]ethoxymethyl]phenyl]acetate
CID 175531863
4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile
CID 175531855
4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-3-formylbenzonitrile
CID 175531856
2-chloro-4-(1,2,3-trihydroxypropyl)benzonitrile
CID 170817886
2-amino-1-(6-chloro-2-pyridinyl)ethanol
CID 14578852
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
4-chloro-2-(hydroxymethyl)benzonitrile
CID 118269434
(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
CID 96854674
6-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-(3-hydroxypropyl)pyridine-3-carbonitrile
CID 175531921
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
CID 146466291
4-propan-2-yl-2-[2-(2-sulfanylethylsulfanyl)ethyl]benzonitrile
CID 177334975

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile?
The IUPAC name of 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile (CID 175531896) is 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile?
The canonical SMILES for 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile is N#Cc1ccc(C(O)c2cccc(Cl)n2)cc1CCO.
What is the InChIKey of 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile?
The InChIKey is FKOLAIWHHMRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-3-1-2-13(18-14)15(20)11-4-5-12(9-17)10(8-11)6-7-19/h1-5,8,15,19-20H,6-7H2.
What are the key properties of 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile?
4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile has a molecular weight of 288.73 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-pyridinyl)-hydroxymethyl]-2-(2-hydroxyethyl)benzonitrile is sourced from PubChem (CID 175531896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).