2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid

C7H4F2N2O5 — CID 118826321

IUPAC2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(O)c([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H4F2N2O5/c8-5(9)4-2(7(13)14)1-3(12)6(10-4)11(15)16/h1,5,12H,(H,13,14)
InChIKeyMHJZHUDLBKLNJP-UHFFFAOYSA-N
MW234.11 g/mol
LogP1.33
Rot. Bonds3

About 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid

2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid (PubChem CID 118826321) has the molecular formula C7H4F2N2O5 and a molecular weight of 234.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
PubChem CID118826321
Molecular FormulaC7H4F2N2O5
Molecular Weight234.11 g/mol
Exact Mass234.01
IUPAC Name2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(O)c([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H4F2N2O5/c8-5(9)4-2(7(13)14)1-3(12)6(10-4)11(15)16/h1,5,12H,(H,13,14)
InChIKeyMHJZHUDLBKLNJP-UHFFFAOYSA-N
XLogP1.33
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 51.33
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

2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid (CID 118826321) is 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid is O=C(O)c1cc(O)c([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid?
The InChIKey is MHJZHUDLBKLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O5/c8-5(9)4-2(7(13)14)1-3(12)6(10-4)11(15)16/h1,5,12H,(H,13,14).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid?
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid has a molecular weight of 234.11 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 118826321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).