2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile

C₇H₅BrN₂O — CID 130748855

About 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile

2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile (PubChem CID 130748855) has the molecular formula C₇H₅BrN₂O and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile.

Molecular Properties

• Compound Name: 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
• PubChem CID: 130748855
• Molecular Formula: C₇H₅BrN₂O
• Molecular Weight: 213.03 g/mol
• Exact Mass: 211.96
• IUPAC Name: 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
• SMILES: N#CCc1nccc(Br)c1O
• InChI: InChI=1S/C7H5BrN2O/c8-5-2-4-10-6(1-3-9)7(5)11/h2,4,11H,1H2
• InChIKey: GIQVRKFADHBHMO-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 56.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.03
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?

The IUPAC name of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile (CID 130748855) is 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile.

What is the SMILES notation for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?

The canonical SMILES for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile is N#CCc1nccc(Br)c1O.

What is the InChIKey of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?

The InChIKey is GIQVRKFADHBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-5-2-4-10-6(1-3-9)7(5)11/h2,4,11H,1H2.

What are the key properties of 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile?

2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 130748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130748855 — identifiers, structure, computed properties (public domain)

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