[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol

C₇H₇F₂N₃O₃ — CID 130106958

About [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol

[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (PubChem CID 130106958) has the molecular formula C₇H₇F₂N₃O₃ and a molecular weight of 219.15 g/mol. Its IUPAC name is [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
• PubChem CID: 130106958
• Molecular Formula: C₇H₇F₂N₃O₃
• Molecular Weight: 219.15 g/mol
• Exact Mass: 219.05
• IUPAC Name: [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
• SMILES: Nc1cc(CO)c(C(F)F)nc1[N+](=O)[O-]
• InChI: InChI=1S/C7H7F2N3O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2,10H2
• InChIKey: NJBHPVWKNOUOJR-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 102.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.15
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?

The IUPAC name of [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (CID 130106958) is [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.

What is the SMILES notation for [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?

The canonical SMILES for [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is Nc1cc(CO)c(C(F)F)nc1[N+](=O)[O-].

What is the InChIKey of [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?

The InChIKey is NJBHPVWKNOUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2,10H2.

What are the key properties of [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?

[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol has a molecular weight of 219.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 130106958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130106958 — identifiers, structure, computed properties (public domain)

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