methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate

C10H10F2N2O4 — CID 133098665

IUPACmethyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc([N+](=O)[O-])c(C)c1C(F)F
InChIInChI=1S/C10H10F2N2O4/c1-5-8(9(11)12)6(3-7(15)18-2)4-13-10(5)14(16)17/h4,9H,3H2,1-2H3
InChIKeyGFUOGOZXEGIPQH-UHFFFAOYSA-N
MW260.20 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate

methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate (PubChem CID 133098665) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
PubChem CID133098665
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Namemethyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc([N+](=O)[O-])c(C)c1C(F)F
InChIInChI=1S/C10H10F2N2O4/c1-5-8(9(11)12)6(3-7(15)18-2)4-13-10(5)14(16)17/h4,9H,3H2,1-2H3
InChIKeyGFUOGOZXEGIPQH-UHFFFAOYSA-N
XLogP1.95
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
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

methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
methyl 2-[4-bromo-5-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134675395
methyl 2-[4-(difluoromethyl)-5-iodo-2-nitro-3-pyridinyl]acetate
CID 133100899
methyl 2-[5-(difluoromethyl)-6-iodo-4-nitro-3-pyridinyl]acetate
CID 133101538
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate (CID 133098665) is methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate is COC(=O)Cc1cnc([N+](=O)[O-])c(C)c1C(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate?
The InChIKey is GFUOGOZXEGIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c1-5-8(9(11)12)6(3-7(15)18-2)4-13-10(5)14(16)17/h4,9H,3H2,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate?
methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate has a molecular weight of 260.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate is sourced from PubChem (CID 133098665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).