4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid

C8H6F2N2O5 — CID 118806375

IUPAC4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H6F2N2O5/c1-17-6-4(7(9)10)3(12(15)16)2-11-5(6)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyARGRNVCMUALDKV-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.63
Rot. Bonds4

About 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid

4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid (PubChem CID 118806375) has the molecular formula C8H6F2N2O5 and a molecular weight of 248.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
PubChem CID118806375
Molecular FormulaC8H6F2N2O5
Molecular Weight248.14 g/mol
Exact Mass248.02
IUPAC Name4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H6F2N2O5/c1-17-6-4(7(9)10)3(12(15)16)2-11-5(6)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyARGRNVCMUALDKV-UHFFFAOYSA-N
XLogP1.63
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
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

3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid (CID 118806375) is 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid is COc1c(C(=O)O)ncc([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid?
The InChIKey is ARGRNVCMUALDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O5/c1-17-6-4(7(9)10)3(12(15)16)2-11-5(6)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid?
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid has a molecular weight of 248.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 118806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).