6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

C98H102Cl3N23O4 — CID 162040044

About 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 162040044) has the molecular formula C98H102Cl3N23O4 and a molecular weight of 1772.41 g/mol. Its IUPAC name is 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162040044
• Molecular Formula: C98H102Cl3N23O4
• Molecular Weight: 1772.41 g/mol
• Exact Mass: 1769.76
• IUPAC Name: 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)C/N=C(\c1ccc(NCC(C)C)nc1)c1c[nH]c2ncccc12.CC(C)CNc1ccc(C(=O)c2c[nH]c3ncccc23)cn1.CC(C)CNc1ccc(C(O)c2c[nH]c3ncccc23)cn1.CC(C)CNc1ccc(Cc2c[nH]c3ncccc23)cn1.O=C(Cl)c1ccc(Cl)nc1.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H27N5.C17H20N4O.C17H18N4O.C17H20N4.C13H8ClN3O.C7H6N2.C6H3Cl2NO/c1-14(2)10-23-19-8-7-16(12-24-19)20(25-11-15(3)4)18-13-26-21-17(18)6-5-9-22-21;2*1-11(2)8-19-15-6-5-12(9-20-15)16(22)14-10-21-17-13(14)4-3-7-18-17;1-12(2)9-19-16-6-5-13(10-20-16)8-14-11-21-17-15(14)4-3-7-18-17;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;1-2-6-3-5-9-7(6)8-4-1;7-5-2-1-4(3-9-5)6(8)10/h5-9,12-15H,10-11H2,1-4H3,(H,22,26)(H,23,24);3-7,9-11,16,22H,8H2,1-2H3,(H,18,21)(H,19,20);3-7,9-11H,8H2,1-2H3,(H,18,21)(H,19,20);3-7,10-12H,8-9H2,1-2H3,(H,18,21)(H,19,20);1-7H,(H,15,17);1-5H,(H,8,9);1-3H/b25-20+
• InChIKey: YXDQTLYVDWAVKM-PQYMLBDNSA-N
• XLogP: 21.02
• TPSA: 381.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.41
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (CID 162040044) is 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is CC(C)C/N=C(\c1ccc(NCC(C)C)nc1)c1c[nH]c2ncccc12.CC(C)CNc1ccc(C(=O)c2c[nH]c3ncccc23)cn1.CC(C)CNc1ccc(C(O)c2c[nH]c3ncccc23)cn1.CC(C)CNc1ccc(Cc2c[nH]c3ncccc23)cn1.O=C(Cl)c1ccc(Cl)nc1.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is YXDQTLYVDWAVKM-PQYMLBDNSA-N. The full InChI is InChI=1S/C21H27N5.C17H20N4O.C17H18N4O.C17H20N4.C13H8ClN3O.C7H6N2.C6H3Cl2NO/c1-14(2)10-23-19-8-7-16(12-24-19)20(25-11-15(3)4)18-13-26-21-17(18)6-5-9-22-21;2*1-11(2)8-19-15-6-5-12(9-20-15)16(22)14-10-21-17-13(14)4-3-7-18-17;1-12(2)9-19-16-6-5-13(10-20-16)8-14-11-21-17-15(14)4-3-7-18-17;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;1-2-6-3-5-9-7(6)8-4-1;7-5-2-1-4(3-9-5)6(8)10/h5-9,12-15H,10-11H2,1-4H3,(H,22,26)(H,23,24);3-7,9-11,16,22H,8H2,1-2H3,(H,18,21)(H,19,20);3-7,9-11H,8H2,1-2H3,(H,18,21)(H,19,20);3-7,10-12H,8-9H2,1-2H3,(H,18,21)(H,19,20);1-7H,(H,15,17);1-5H,(H,8,9);1-3H/b25-20+;;;;;;.

What are the key properties of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1772.41 g/mol, XLogP of 21.02, 25 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162040044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).