MEK4-IN-6ff

C₁₄H₉FN₂O₂ — CID 155410731

About MEK4-IN-6ff

MEK4-IN-6ff (PubChem CID 155410731) has the molecular formula C₁₄H₉FN₂O₂ and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indazol-3-yl)benzoic acid.

Molecular Properties

• Compound Name: MEK4-IN-6ff
• PubChem CID: 155410731
• Molecular Formula: C₁₄H₉FN₂O₂
• Molecular Weight: 256.24 g/mol
• Exact Mass: 256.06
• IUPAC Name: 4-(6-fluoro-1H-indazol-3-yl)benzoic acid
• SMILES: O=C(O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
• InChI: InChI=1S/C14H9FN2O2/c15-10-5-6-11-12(7-10)16-17-13(11)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
• InChIKey: JCIIJLGOZRZKPD-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 65.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.24
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of MEK4-IN-6ff?

The IUPAC name of MEK4-IN-6ff (CID 155410731) is 4-(6-fluoro-1H-indazol-3-yl)benzoic acid.

What is the SMILES notation for MEK4-IN-6ff?

The canonical SMILES for MEK4-IN-6ff is O=C(O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.

What is the InChIKey of MEK4-IN-6ff?

The InChIKey is JCIIJLGOZRZKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-5-6-11-12(7-10)16-17-13(11)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19).

What are the key properties of MEK4-IN-6ff?

MEK4-IN-6ff has a molecular weight of 256.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for MEK4-IN-6ff is sourced from PubChem (CID 155410731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155410731 — identifiers, structure, computed properties (public domain)

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