4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine

C51H51BClN9O8 — CID 160742464

About 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine

4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 160742464) has the molecular formula C51H51BClN9O8 and a molecular weight of 964.29 g/mol. Its IUPAC name is 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
• PubChem CID: 160742464
• Molecular Formula: C51H51BClN9O8
• Molecular Weight: 964.29 g/mol
• Exact Mass: 963.36
• IUPAC Name: 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
• SMILES: CC(C)OC(=O)c1cc(-c2cnc3cc[nH]c3c2)ccn1.CC(C)n1ccc2ncc(-c3ccnc(C(=O)O)c3)cc21.CC1(C)OB(c2cnc3cc[nH]c3c2)OC1(C)C.O=C(O)c1cc(Cl)ccn1
• InChI: InChI=1S/2C16H15N3O2.C13H17BN2O2.C6H4ClNO2/c1-10(2)21-16(20)15-7-11(3-5-18-15)12-8-14-13(19-9-12)4-6-17-14;1-10(2)19-6-4-13-15(19)8-12(9-18-13)11-3-5-17-14(7-11)16(20)21;1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11;7-4-1-2-8-5(3-4)6(9)10/h3-10,17H,1-2H3;3-10H,1-2H3,(H,20,21);5-8,15H,1-4H3;1-3H,(H,9,10)
• InChIKey: RVTNEXDMFDFMND-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 233.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	964.29
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine?

The IUPAC name of 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine (CID 160742464) is 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine?

The canonical SMILES for 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine is CC(C)OC(=O)c1cc(-c2cnc3cc[nH]c3c2)ccn1.CC(C)n1ccc2ncc(-c3ccnc(C(=O)O)c3)cc21.CC1(C)OB(c2cnc3cc[nH]c3c2)OC1(C)C.O=C(O)c1cc(Cl)ccn1.

What is the InChIKey of 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine?

The InChIKey is RVTNEXDMFDFMND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3O2.C13H17BN2O2.C6H4ClNO2/c1-10(2)21-16(20)15-7-11(3-5-18-15)12-8-14-13(19-9-12)4-6-17-14;1-10(2)19-6-4-13-15(19)8-12(9-18-13)11-3-5-17-14(7-11)16(20)21;1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11;7-4-1-2-8-5(3-4)6(9)10/h3-10,17H,1-2H3;3-10H,1-2H3,(H,20,21);5-8,15H,1-4H3;1-3H,(H,9,10).

What are the key properties of 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine?

4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 964.29 g/mol, XLogP of 9.86, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 160742464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).