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

C6H5F2N3O3 — CID 119007909

IUPAC6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
SMILESNc1ncc(O)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H5F2N3O3/c7-5(8)3-4(11(13)14)2(12)1-10-6(3)9/h1,5,12H,(H2,9,10)
InChIKeyOERFZPYLIMDPQF-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.22
Rot. Bonds2

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

6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol (PubChem CID 119007909) has the molecular formula C6H5F2N3O3 and a molecular weight of 205.12 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
PubChem CID119007909
Molecular FormulaC6H5F2N3O3
Molecular Weight205.12 g/mol
Exact Mass205.03
IUPAC Name6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
SMILESNc1ncc(O)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H5F2N3O3/c7-5(8)3-4(11(13)14)2(12)1-10-6(3)9/h1,5,12H,(H2,9,10)
InChIKeyOERFZPYLIMDPQF-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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Related Compounds

5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355
2-amino-3-(difluoromethyl)-5-hydroxypyridine-4-carboxamide
CID 119009453
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol (CID 119007909) is 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol is Nc1ncc(O)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol?
The InChIKey is OERFZPYLIMDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O3/c7-5(8)3-4(11(13)14)2(12)1-10-6(3)9/h1,5,12H,(H2,9,10).
What are the key properties of 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol?
6-amino-5-(difluoromethyl)-4-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 6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol is sourced from PubChem (CID 119007909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).