3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine

C40H54ClN11O — CID 159169353

About 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine

3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159169353) has the molecular formula C40H54ClN11O and a molecular weight of 740.40 g/mol. Its IUPAC name is 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159169353
• Molecular Formula: C40H54ClN11O
• Molecular Weight: 740.40 g/mol
• Exact Mass: 739.42
• IUPAC Name: 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine
• SMILES: CN(C)Cc1c[nH]c2ncccc12.CN(C)Cc1cn(C)c2ncccc12.CNC.CO.Cn1cc(CCl)c2cccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C11H15N3.C10H13N3.C9H9ClN2.C7H6N2.C2H7N.CH4O/c1-13(2)7-9-8-14(3)11-10(9)5-4-6-12-11;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-12-6-7(5-10)8-3-2-4-11-9(8)12;1-2-6-3-5-9-7(6)8-4-1;1-3-2;1-2/h4-6,8H,7H2,1-3H3;3-6H,7H2,1-2H3,(H,11,12);2-4,6H,5H2,1H3;1-5H,(H,8,9);3H,1-2H3;2H,1H3
• InChIKey: KLMFOKJAJOZOPE-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 131.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.40
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine (CID 159169353) is 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine is CN(C)Cc1c[nH]c2ncccc12.CN(C)Cc1cn(C)c2ncccc12.CNC.CO.Cn1cc(CCl)c2cccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KLMFOKJAJOZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C10H13N3.C9H9ClN2.C7H6N2.C2H7N.CH4O/c1-13(2)7-9-8-14(3)11-10(9)5-4-6-12-11;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-12-6-7(5-10)8-3-2-4-11-9(8)12;1-2-6-3-5-9-7(6)8-4-1;1-3-2;1-2/h4-6,8H,7H2,1-3H3;3-6H,7H2,1-2H3,(H,11,12);2-4,6H,5H2,1H3;1-5H,(H,8,9);3H,1-2H3;2H,1H3.

What are the key properties of 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine?

3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 740.40 g/mol, XLogP of 6.58, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridine;N,N-dimethyl-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;methanol;N-methylmethanamine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159169353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).