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

C9H9F2N3O4 — CID 134673946

IUPACmethyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc([N+](=O)[O-])c(N)c1C(F)F
InChIInChI=1S/C9H9F2N3O4/c1-18-5(15)2-4-3-13-9(14(16)17)7(12)6(4)8(10)11/h3,8H,2,12H2,1H3
InChIKeyAAZQLGOGYFLICV-UHFFFAOYSA-N
MW261.18 g/mol
LogP1.23
Rot. Bonds4

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

methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate (PubChem CID 134673946) has the molecular formula C9H9F2N3O4 and a molecular weight of 261.18 g/mol. Its IUPAC name is methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
PubChem CID134673946
Molecular FormulaC9H9F2N3O4
Molecular Weight261.18 g/mol
Exact Mass261.06
IUPAC Namemethyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc([N+](=O)[O-])c(N)c1C(F)F
InChIInChI=1S/C9H9F2N3O4/c1-18-5(15)2-4-3-13-9(14(16)17)7(12)6(4)8(10)11/h3,8H,2,12H2,1H3
InChIKeyAAZQLGOGYFLICV-UHFFFAOYSA-N
XLogP1.23
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 51.23
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'}

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Related Compounds

methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
CID 133098665
methyl 2-[4-bromo-5-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134675395
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874
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
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate (CID 134673946) is methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate is COC(=O)Cc1cnc([N+](=O)[O-])c(N)c1C(F)F.
What is the InChIKey of methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate?
The InChIKey is AAZQLGOGYFLICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O4/c1-18-5(15)2-4-3-13-9(14(16)17)7(12)6(4)8(10)11/h3,8H,2,12H2,1H3.
What are the key properties of methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate?
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate has a molecular weight of 261.18 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate is sourced from PubChem (CID 134673946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).