Cefdinir

C₁₄H₁₃N₅O₅S₂ — CID 6915944

About Cefdinir

Cefdinir (PubChem CID 6915944) has the molecular formula C₁₄H₁₃N₅O₅S₂ and a molecular weight of 395.42 g/mol. Its IUPAC name is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

• Compound Name: Cefdinir
• PubChem CID: 6915944
• Molecular Formula: C₁₄H₁₃N₅O₅S₂
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.04
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• SMILES: C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1
• InChI: InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
• InChIKey: RTXOFQZKPXMALH-GHXIOONMSA-N
• XLogP: -0.17
• TPSA: 158.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cefdinir?

The IUPAC name of Cefdinir (CID 6915944) is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the SMILES notation for Cefdinir?

The canonical SMILES for Cefdinir is C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1.

What is the InChIKey of Cefdinir?

The InChIKey is RTXOFQZKPXMALH-GHXIOONMSA-N. The full InChI is InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1.

What are the key properties of Cefdinir?

Cefdinir has a molecular weight of 395.42 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Cefdinir is sourced from PubChem (CID 6915944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6915944 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 533 — approved-drug record (CC BY-SA 4.0)

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