5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol

C6H5F2N3O3 — CID 130104620

IUPAC5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
SMILESNc1c([N+](=O)[O-])ncc(O)c1C(F)F
InChIInChI=1S/C6H5F2N3O3/c7-5(8)3-2(12)1-10-6(4(3)9)11(13)14/h1,5,12H,9H2
InChIKeyKTPCJGVJXSCYAY-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.22
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol

5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol (PubChem CID 130104620) has the molecular formula C6H5F2N3O3 and a molecular weight of 205.12 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
PubChem CID130104620
Molecular FormulaC6H5F2N3O3
Molecular Weight205.12 g/mol
Exact Mass205.03
IUPAC Name5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
SMILESNc1c([N+](=O)[O-])ncc(O)c1C(F)F
InChIInChI=1S/C6H5F2N3O3/c7-5(8)3-2(12)1-10-6(4(3)9)11(13)14/h1,5,12H,9H2
InChIKeyKTPCJGVJXSCYAY-UHFFFAOYSA-N
XLogP1.22
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 51.22
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-4-(difluoromethyl)-6-nitropyridin-3-ol?
The IUPAC name of 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol (CID 130104620) is 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol?
The canonical SMILES for 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol is Nc1c([N+](=O)[O-])ncc(O)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol?
The InChIKey is KTPCJGVJXSCYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O3/c7-5(8)3-2(12)1-10-6(4(3)9)11(13)14/h1,5,12H,9H2.
What are the key properties of 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol?
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol has a molecular weight of 205.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol is sourced from PubChem (CID 130104620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).