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

C7H7F2N3O3 — CID 130106958

IUPAC[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESNc1cc(CO)c(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2,10H2
InChIKeyNJBHPVWKNOUOJR-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.00
Rot. Bonds3

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 CID130106958
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESNc1cc(CO)c(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2,10H2
InChIKeyNJBHPVWKNOUOJR-UHFFFAOYSA-N
XLogP1.00
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).