ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate

C10H10F2N2O5 — CID 133099296

IUPACethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-13-9(18-2)7(14(16)17)6(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyGBPGHZONCVQDLX-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.11
Rot. Bonds5

About ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate

ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate (PubChem CID 133099296) has the molecular formula C10H10F2N2O5 and a molecular weight of 276.19 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
PubChem CID133099296
Molecular FormulaC10H10F2N2O5
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC Nameethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-13-9(18-2)7(14(16)17)6(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyGBPGHZONCVQDLX-UHFFFAOYSA-N
XLogP2.11
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
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'}

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Related Compounds

ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate
CID 59225794
ethyl 5-(difluoromethyl)-6-iodo-4-nitropyridine-3-carboxylate
CID 133101571
ethyl 4-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylate
CID 133102804
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
CID 133099289
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204
ethyl 5-cyano-6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 133107430
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440
ethyl 2-[5-(difluoromethyl)-6-fluoro-4-nitro-3-pyridinyl]acetate
CID 133104493

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate (CID 133099296) is ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate is CCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate?
The InChIKey is GBPGHZONCVQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-13-9(18-2)7(14(16)17)6(5)8(11)12/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate?
ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate has a molecular weight of 276.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate is sourced from PubChem (CID 133099296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).