ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate

C10H10F2N2O5 — CID 133099289

IUPACethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
SMILESCCOC(=O)c1cc([N+](=O)[O-])nc(OC)c1C(F)F
InChIInChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-6(14(16)17)13-9(18-2)7(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyJARNNLXWDXJJOK-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.11
Rot. Bonds5

About ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate

ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate (PubChem CID 133099289) has the molecular formula C10H10F2N2O5 and a molecular weight of 276.19 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
PubChem CID133099289
Molecular FormulaC10H10F2N2O5
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC Nameethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
SMILESCCOC(=O)c1cc([N+](=O)[O-])nc(OC)c1C(F)F
InChIInChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-6(14(16)17)13-9(18-2)7(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyJARNNLXWDXJJOK-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 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
2-[3-(difluoromethyl)-2-methoxy-6-nitro-4-pyridinyl]acetic acid
CID 133099947
ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
CID 133099296
ethyl 2-[3-(difluoromethyl)-4-methyl-6-nitro-2-pyridinyl]acetate
CID 133099088
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 3-(difluoromethyl)-2-iodo-6-methoxypyridine-4-carboxylate
CID 133101862
ethyl 6-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134675368
ethyl 2-(difluoromethyl)-6-methyl-3-nitropyridine-4-carboxylate
CID 133099188
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate (CID 133099289) is ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate is CCOC(=O)c1cc([N+](=O)[O-])nc(OC)c1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate?
The InChIKey is JARNNLXWDXJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5/c1-3-19-10(15)5-4-6(14(16)17)13-9(18-2)7(5)8(11)12/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate?
ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-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 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate is sourced from PubChem (CID 133099289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).