methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane

C43H46AlCl4N15O12 — CID 158773299

About methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane

methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane (PubChem CID 158773299) has the molecular formula C43H46AlCl4N15O12 and a molecular weight of 1133.73 g/mol. Its IUPAC name is methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane.

Molecular Properties

• Compound Name: methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane
• PubChem CID: 158773299
• Molecular Formula: C43H46AlCl4N15O12
• Molecular Weight: 1133.73 g/mol
• Exact Mass: 1131.20
• IUPAC Name: methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane
• SMILES: C.C.COC(=O)C(=O)Cl.COC(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)O)c12.COc1cnc(-n2cnc(C)n2)c2[nH]ccc12.Cl[Al](Cl)Cl
• InChI: InChI=1S/C14H13N5O4.C13H11N5O4.C11H11N5O.C3H3ClO3.2CH4.Al.3ClH/c1-7-17-6-19(18-7)13-11-10(9(22-2)5-16-13)8(4-15-11)12(20)14(21)23-3;1-6-16-5-18(17-6)12-10-9(8(22-2)4-15-12)7(3-14-10)11(19)13(20)21;1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11;1-7-3(6)2(4)5;;;;;;/h4-6,15H,1-3H3;3-5,14H,1-2H3,(H,20,21);3-6,12H,1-2H3;1H3;2*1H4;;3*1H/q;;;;;;+3;;;/p-3
• InChIKey: IQDNFZLUGOKNKE-UHFFFAOYSA-K
• XLogP: 5.89
• TPSA: 346.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.73
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane?

The IUPAC name of methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane (CID 158773299) is methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane.

What is the SMILES notation for methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane?

The canonical SMILES for methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane is C.C.COC(=O)C(=O)Cl.COC(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)O)c12.COc1cnc(-n2cnc(C)n2)c2[nH]ccc12.Cl[Al](Cl)Cl.

What is the InChIKey of methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane?

The InChIKey is IQDNFZLUGOKNKE-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H13N5O4.C13H11N5O4.C11H11N5O.C3H3ClO3.2CH4.Al.3ClH/c1-7-17-6-19(18-7)13-11-10(9(22-2)5-16-13)8(4-15-11)12(20)14(21)23-3;1-6-16-5-18(17-6)12-10-9(8(22-2)4-15-12)7(3-14-10)11(19)13(20)21;1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11;1-7-3(6)2(4)5;;;;;;/h4-6,15H,1-3H3;3-5,14H,1-2H3,(H,20,21);3-6,12H,1-2H3;1H3;2*1H4;;3*1H/q;;;;;;+3;;;/p-3.

What are the key properties of methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane?

methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane has a molecular weight of 1133.73 g/mol, XLogP of 5.89, 11 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-chloro-2-oxoacetate;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;trichloroalumane is sourced from PubChem (CID 158773299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).