2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C14H12ClN3O — CID 22012021

IUPAC2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(Cl)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C14H12ClN3O/c15-12-10(7-16)14-11(19)4-2-6-18(14)13(12)9-3-1-5-17-8-9/h1,3,5,8,11,19H,2,4,6H2
InChIKeyDAZGRJUNHWNKRN-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 22012021) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID22012021
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(Cl)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C14H12ClN3O/c15-12-10(7-16)14-11(19)4-2-6-18(14)13(12)9-3-1-5-17-8-9/h1,3,5,8,11,19H,2,4,6H2
InChIKeyDAZGRJUNHWNKRN-UHFFFAOYSA-N
XLogP2.90
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile 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-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 22012021) is 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is N#Cc1c(Cl)c(-c2cccnc2)n2c1C(O)CCC2.
What is the InChIKey of 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is DAZGRJUNHWNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-12-10(7-16)14-11(19)4-2-6-18(14)13(12)9-3-1-5-17-8-9/h1,3,5,8,11,19H,2,4,6H2.
What are the key properties of 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 22012021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).