3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile

C54H39Br3F2N14O7 — CID 159889592

About 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile

3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile (PubChem CID 159889592) has the molecular formula C54H39Br3F2N14O7 and a molecular weight of 1273.70 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile
• PubChem CID: 159889592
• Molecular Formula: C54H39Br3F2N14O7
• Molecular Weight: 1273.70 g/mol
• Exact Mass: 1270.06
• IUPAC Name: 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile
• SMILES: COc1c(C#N)ccc(F)c1C=O.COc1c(C#N)ccc2[nH]ncc12.COc1c(C#N)ccc2n[nH]c(Br)c12.COc1cc(F)ccc1C#N.COc1cc2c(cc1C#N)c(Br)nn2C.COc1cc2n[nH]c(Br)c2cc1C#N
• InChI: InChI=1S/C10H8BrN3O.2C9H6BrN3O.C9H6FNO2.C9H7N3O.C8H6FNO/c1-14-8-4-9(15-2)6(5-12)3-7(8)10(11)13-14;1-14-8-3-7-6(2-5(8)4-11)9(10)13-12-7;1-14-8-5(4-11)2-3-6-7(8)9(10)13-12-6;1-13-9-6(4-11)2-3-8(10)7(9)5-12;1-13-9-6(4-10)2-3-8-7(9)5-11-12-8;1-11-8-4-7(9)3-2-6(8)5-10/h3-4H,1-2H3;2*2-3H,1H3,(H,12,13);2-3,5H,1H3;2-3,5H,1H3,(H,11,12);2-4H,1H3
• InChIKey: NUOQFULNDVSYTM-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 319.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.70
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile?

The IUPAC name of 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile (CID 159889592) is 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile.

What is the SMILES notation for 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile?

The canonical SMILES for 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile is COc1c(C#N)ccc(F)c1C=O.COc1c(C#N)ccc2[nH]ncc12.COc1c(C#N)ccc2n[nH]c(Br)c12.COc1cc(F)ccc1C#N.COc1cc2c(cc1C#N)c(Br)nn2C.COc1cc2n[nH]c(Br)c2cc1C#N.

What is the InChIKey of 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile?

The InChIKey is NUOQFULNDVSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O.2C9H6BrN3O.C9H6FNO2.C9H7N3O.C8H6FNO/c1-14-8-4-9(15-2)6(5-12)3-7(8)10(11)13-14;1-14-8-3-7-6(2-5(8)4-11)9(10)13-12-7;1-14-8-5(4-11)2-3-6-7(8)9(10)13-12-6;1-13-9-6(4-11)2-3-8(10)7(9)5-12;1-13-9-6(4-10)2-3-8-7(9)5-11-12-8;1-11-8-4-7(9)3-2-6(8)5-10/h3-4H,1-2H3;2*2-3H,1H3,(H,12,13);2-3,5H,1H3;2-3,5H,1H3,(H,11,12);2-4H,1H3.

What are the key properties of 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile?

3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile has a molecular weight of 1273.70 g/mol, XLogP of 11.30, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-2H-indazole-5-carbonitrile;3-bromo-6-methoxy-1-methylindazole-5-carbonitrile;4-fluoro-3-formyl-2-methoxybenzonitrile;4-fluoro-2-methoxybenzonitrile;4-methoxy-1H-indazole-5-carbonitrile is sourced from PubChem (CID 159889592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).