1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

C18H10Cl2F6N4O — CID 87687911

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (PubChem CID 87687911) has the molecular formula C18H10Cl2F6N4O and a molecular weight of 483.20 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.

Molecular Properties

• Compound Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
• PubChem CID: 87687911
• Molecular Formula: C18H10Cl2F6N4O
• Molecular Weight: 483.20 g/mol
• Exact Mass: 482.01
• IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
• SMILES: O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ccc(Cl)cc1C(F)(F)F
• InChI: InChI=1S/C18H10Cl2F6N4O/c19-10-3-4-13(11(7-10)18(24,25)26)30-5-1-2-14(30)16(31)29-28-15-12(20)6-9(8-27-15)17(21,22)23/h1-8H,(H,27,28)(H,29,31)
• InChIKey: FQMZJMBPYZPGAA-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.20
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?

The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (CID 87687911) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.

What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?

The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ccc(Cl)cc1C(F)(F)F.

What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?

The InChIKey is FQMZJMBPYZPGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F6N4O/c19-10-3-4-13(11(7-10)18(24,25)26)30-5-1-2-14(30)16(31)29-28-15-12(20)6-9(8-27-15)17(21,22)23/h1-8H,(H,27,28)(H,29,31).

What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?

1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide has a molecular weight of 483.20 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 87687911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).