methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate

C8H6F2N2O5 — CID 133103216

IUPACmethyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc([N+](=O)[O-])cc(C(F)F)c1O
InChIInChI=1S/C8H6F2N2O5/c1-17-8(14)5-6(13)3(7(9)10)2-4(11-5)12(15)16/h2,7,13H,1H3
InChIKeyZIASUHMBGYGEKS-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.42
Rot. Bonds3

About methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate

methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate (PubChem CID 133103216) has the molecular formula C8H6F2N2O5 and a molecular weight of 248.14 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
PubChem CID133103216
Molecular FormulaC8H6F2N2O5
Molecular Weight248.14 g/mol
Exact Mass248.02
IUPAC Namemethyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc([N+](=O)[O-])cc(C(F)F)c1O
InChIInChI=1S/C8H6F2N2O5/c1-17-8(14)5-6(13)3(7(9)10)2-4(11-5)12(15)16/h2,7,13H,1H3
InChIKeyZIASUHMBGYGEKS-UHFFFAOYSA-N
XLogP1.42
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
methyl 5-(difluoromethyl)-6-methyl-3-nitropyridine-2-carboxylate
CID 133098779
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
methyl 6-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107481
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate (CID 133103216) is methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate is COC(=O)c1nc([N+](=O)[O-])cc(C(F)F)c1O.
What is the InChIKey of methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate?
The InChIKey is ZIASUHMBGYGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O5/c1-17-8(14)5-6(13)3(7(9)10)2-4(11-5)12(15)16/h2,7,13H,1H3.
What are the key properties of methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate?
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate has a molecular weight of 248.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate is sourced from PubChem (CID 133103216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).