(6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C8H8FN3O3 — CID 178138707

About (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

(6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 178138707) has the molecular formula C8H8FN3O3 and a molecular weight of 213.17 g/mol. Its IUPAC name is (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
• PubChem CID: 178138707
• Molecular Formula: C8H8FN3O3
• Molecular Weight: 213.17 g/mol
• Exact Mass: 213.05
• IUPAC Name: (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
• SMILES: Nc1cnc2n(c1=O)[C@H](C(=O)O)C[C@H]2F
• InChI: InChI=1S/C8H8FN3O3/c9-3-1-5(8(14)15)12-6(3)11-2-4(10)7(12)13/h2-3,5H,1,10H2,(H,14,15)/t3-,5+/m1/s1
• InChIKey: RQQDQCOBHOWKSY-WUJLRWPWSA-N
• XLogP: -0.13
• TPSA: 98.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.17
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The IUPAC name of (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 178138707) is (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

What is the SMILES notation for (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The canonical SMILES for (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is Nc1cnc2n(c1=O)[C@H](C(=O)O)C[C@H]2F.

What is the InChIKey of (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The InChIKey is RQQDQCOBHOWKSY-WUJLRWPWSA-N. The full InChI is InChI=1S/C8H8FN3O3/c9-3-1-5(8(14)15)12-6(3)11-2-4(10)7(12)13/h2-3,5H,1,10H2,(H,14,15)/t3-,5+/m1/s1.

What are the key properties of (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

(6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 213.17 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8R)-3-amino-8-fluoro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 178138707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).