(2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone

C24H17Cl3N4O3 — CID 6009505

About (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone

(2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone (PubChem CID 6009505) has the molecular formula C24H17Cl3N4O3 and a molecular weight of 515.78 g/mol. Its IUPAC name is (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone.

Molecular Properties

• Compound Name: (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone
• PubChem CID: 6009505
• Molecular Formula: C24H17Cl3N4O3
• Molecular Weight: 515.78 g/mol
• Exact Mass: 514.04
• IUPAC Name: (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone
• SMILES: C/C(=N/Nc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1Cl
• InChI: InChI=1S/C24H17Cl3N4O3/c1-13-11-16-5-3-4-10-30(16)23(13)24(32)15-6-9-19(20(12-15)31(33)34)29-28-14(2)17-7-8-18(25)22(27)21(17)26/h3-12,29H,1-2H3/b28-14-
• InChIKey: XXSKKOUZUCLMGT-MUXKCCDJSA-N
• XLogP: 7.18
• TPSA: 89.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.78
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone?

The IUPAC name of (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone (CID 6009505) is (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone.

What is the SMILES notation for (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone?

The canonical SMILES for (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone is C/C(=N/Nc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1Cl.

What is the InChIKey of (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone?

The InChIKey is XXSKKOUZUCLMGT-MUXKCCDJSA-N. The full InChI is InChI=1S/C24H17Cl3N4O3/c1-13-11-16-5-3-4-10-30(16)23(13)24(32)15-6-9-19(20(12-15)31(33)34)29-28-14(2)17-7-8-18(25)22(27)21(17)26/h3-12,29H,1-2H3/b28-14-.

What are the key properties of (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone?

(2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone has a molecular weight of 515.78 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methylindolizin-3-yl)-[3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]phenyl]methanone is sourced from PubChem (CID 6009505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).