(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane

C₁₀H₁₂ClFIN₂P — CID 163388891

About (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane

(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane (PubChem CID 163388891) has the molecular formula C₁₀H₁₂ClFIN₂P and a molecular weight of 372.55 g/mol. Its IUPAC name is (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane.

Molecular Properties

• Compound Name: (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
• PubChem CID: 163388891
• Molecular Formula: C₁₀H₁₂ClFIN₂P
• Molecular Weight: 372.55 g/mol
• Exact Mass: 371.95
• IUPAC Name: (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
• SMILES: CC.Cc1c(Cl)cc(F)c2c1cnn2PI
• InChI: InChI=1S/C8H6ClFIN2P.C2H6/c1-4-5-3-12-13(14-11)8(5)7(10)2-6(4)9;1-2/h2-3,14H,1H3;1-2H3
• InChIKey: VGJXQMSDGGPKAQ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.55
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?

The IUPAC name of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane (CID 163388891) is (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane.

What is the SMILES notation for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?

The canonical SMILES for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane is CC.Cc1c(Cl)cc(F)c2c1cnn2PI.

What is the InChIKey of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?

The InChIKey is VGJXQMSDGGPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFIN2P.C2H6/c1-4-5-3-12-13(14-11)8(5)7(10)2-6(4)9;1-2/h2-3,14H,1H3;1-2H3.

What are the key properties of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?

(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane has a molecular weight of 372.55 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane is sourced from PubChem (CID 163388891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163388891 — identifiers, structure, computed properties (public domain)

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