5-Bromo-6-fluoropyrimidin-4-ol

C₄H₂BrFN₂O — CID 153319509

About 5-Bromo-6-fluoropyrimidin-4-ol

5-Bromo-6-fluoropyrimidin-4-ol (PubChem CID 153319509) has the molecular formula C₄H₂BrFN₂O and a molecular weight of 192.97 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-Bromo-6-fluoropyrimidin-4-ol
• PubChem CID: 153319509
• Molecular Formula: C₄H₂BrFN₂O
• Molecular Weight: 192.97 g/mol
• Exact Mass: 191.93
• IUPAC Name: 5-bromo-4-fluoro-1H-pyrimidin-6-one
• SMILES: O=c1[nH]cnc(F)c1Br
• InChI: InChI=1S/C4H2BrFN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9)
• InChIKey: NMEMSBMCCDPGMQ-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 45.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.97
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-Bromo-6-fluoropyrimidin-4-ol?

The IUPAC name of 5-Bromo-6-fluoropyrimidin-4-ol (CID 153319509) is 5-bromo-4-fluoro-1H-pyrimidin-6-one.

What is the SMILES notation for 5-Bromo-6-fluoropyrimidin-4-ol?

The canonical SMILES for 5-Bromo-6-fluoropyrimidin-4-ol is O=c1[nH]cnc(F)c1Br.

What is the InChIKey of 5-Bromo-6-fluoropyrimidin-4-ol?

The InChIKey is NMEMSBMCCDPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrFN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9).

What are the key properties of 5-Bromo-6-fluoropyrimidin-4-ol?

5-Bromo-6-fluoropyrimidin-4-ol has a molecular weight of 192.97 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Bromo-6-fluoropyrimidin-4-ol is sourced from PubChem (CID 153319509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153319509 — identifiers, structure, computed properties (public domain)

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