4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile

C68H69BCl2N16O5 — CID 158343491

About 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile

4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 158343491) has the molecular formula C68H69BCl2N16O5 and a molecular weight of 1272.12 g/mol. Its IUPAC name is 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile
• PubChem CID: 158343491
• Molecular Formula: C68H69BCl2N16O5
• Molecular Weight: 1272.12 g/mol
• Exact Mass: 1270.51
• IUPAC Name: 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile
• SMILES: CCNC(=O)c1cc(CC)c2ccn(C)c2n1.CCc1cc(C#N)nc2c1ccn2C.CCc1cc(C(=O)O)nc2c1ccn2C.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(C#N)nc21.Cn1ccc2c(Cl)cc(C#N)nc21.N#Cc1cc(Cl)c2c(n1)CC=C2
• InChI: InChI=1S/C15H18BN3O2.C13H17N3O.C11H11N3.C11H12N2O2.C9H6ClN3.C9H5ClN2/c1-14(2)15(3,4)21-16(20-14)12-8-10(9-17)18-13-11(12)6-7-19(13)5;1-4-9-8-11(13(17)14-5-2)15-12-10(9)6-7-16(12)3;1-3-8-6-9(7-12)13-11-10(8)4-5-14(11)2;1-3-7-6-9(11(14)15)12-10-8(7)4-5-13(10)2;1-13-3-2-7-8(10)4-6(5-11)12-9(7)13;10-8-4-6(5-11)12-9-3-1-2-7(8)9/h6-8H,1-5H3;6-8H,4-5H2,1-3H3,(H,14,17);4-6H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,14,15);2-4H,1H3;1-2,4H,3H2
• InChIKey: GRLBVBAKZSAFCB-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 282.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.12
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile?

The IUPAC name of 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 158343491) is 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile.

What is the SMILES notation for 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile?

The canonical SMILES for 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile is CCNC(=O)c1cc(CC)c2ccn(C)c2n1.CCc1cc(C#N)nc2c1ccn2C.CCc1cc(C(=O)O)nc2c1ccn2C.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(C#N)nc21.Cn1ccc2c(Cl)cc(C#N)nc21.N#Cc1cc(Cl)c2c(n1)CC=C2.

What is the InChIKey of 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile?

The InChIKey is GRLBVBAKZSAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BN3O2.C13H17N3O.C11H11N3.C11H12N2O2.C9H6ClN3.C9H5ClN2/c1-14(2)15(3,4)21-16(20-14)12-8-10(9-17)18-13-11(12)6-7-19(13)5;1-4-9-8-11(13(17)14-5-2)15-12-10(9)6-7-16(12)3;1-3-8-6-9(7-12)13-11-10(8)4-5-14(11)2;1-3-7-6-9(11(14)15)12-10-8(7)4-5-13(10)2;1-13-3-2-7-8(10)4-6(5-11)12-9(7)13;10-8-4-6(5-11)12-9-3-1-2-7(8)9/h6-8H,1-5H3;6-8H,4-5H2,1-3H3,(H,14,17);4-6H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,14,15);2-4H,1H3;1-2,4H,3H2.

What are the key properties of 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile?

4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 1272.12 g/mol, XLogP of 11.75, 7 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 158343491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).