4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile

C20H13ClN2O — CID 2816368

IUPAC4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1nc2c(c(-c3ccccc3Cl)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C20H13ClN2O/c1-24-20-16(11-22)18(14-8-4-5-9-17(14)21)15-10-12-6-2-3-7-13(12)19(15)23-20/h2-9H,10H2,1H3
InChIKeyLQTBEDQGZHZFMO-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.85
Rot. Bonds2

About 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile

4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 2816368) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID2816368
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1nc2c(c(-c3ccccc3Cl)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C20H13ClN2O/c1-24-20-16(11-22)18(14-8-4-5-9-17(14)21)15-10-12-6-2-3-7-13(12)19(15)23-20/h2-9H,10H2,1H3
InChIKeyLQTBEDQGZHZFMO-UHFFFAOYSA-N
XLogP4.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile 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

2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2826301
2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 154644696
5-chloro-11H-indeno[1,2-c]isoquinoline
CID 22290968
4-(furan-2-yl)-2-methoxy-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 70924838
3,4-dimethoxy-5H-indeno[1,2-b]pyridin-2-amine
CID 67354604
4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877
4-(2-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933566
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
2-chloro-4-(2-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102548952
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2,8-dimethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2737973
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 2816368) is 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile is COc1nc2c(c(-c3ccccc3Cl)c1C#N)Cc1ccccc1-2.
What is the InChIKey of 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is LQTBEDQGZHZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c1-24-20-16(11-22)18(14-8-4-5-9-17(14)21)15-10-12-6-2-3-7-13(12)19(15)23-20/h2-9H,10H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile?
4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 332.79 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).