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

C10H11F2N3O4 — CID 134661846

IUPACethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O4/c1-2-19-8(16)4-6-9(15(17)18)5(10(11)12)3-7(13)14-6/h3,10H,2,4H2,1H3,(H2,13,14)
InChIKeyPNOCDWOGRNTYIF-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate (PubChem CID 134661846) has the molecular formula C10H11F2N3O4 and a molecular weight of 275.21 g/mol. Its IUPAC name is ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
PubChem CID134661846
Molecular FormulaC10H11F2N3O4
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Nameethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O4/c1-2-19-8(16)4-6-9(15(17)18)5(10(11)12)3-7(13)14-6/h3,10H,2,4H2,1H3,(H2,13,14)
InChIKeyPNOCDWOGRNTYIF-UHFFFAOYSA-N
XLogP1.62
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.62
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'}

Analyze ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-amino-4-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134670512
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
methyl 2-[4-(difluoromethyl)-6-fluoro-3-nitro-2-pyridinyl]acetate
CID 133105165
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[5-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133104696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate (CID 134661846) is ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate is CCOC(=O)Cc1nc(N)cc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate?
The InChIKey is PNOCDWOGRNTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O4/c1-2-19-8(16)4-6-9(15(17)18)5(10(11)12)3-7(13)14-6/h3,10H,2,4H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate?
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate has a molecular weight of 275.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate is sourced from PubChem (CID 134661846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).