ethyl 2-(2-chloro-6-nitroanilino)acetate

C10H11ClN2O4 — CID 62083715

IUPACethyl 2-(2-chloro-6-nitroanilino)acetate
SMILESCCOC(=O)CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)6-12-10-7(11)4-3-5-8(10)13(15)16/h3-5,12H,2,6H2,1H3
InChIKeyBYCKUWKYCREARY-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-(2-chloro-6-nitroanilino)acetate

ethyl 2-(2-chloro-6-nitroanilino)acetate (PubChem CID 62083715) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-nitroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-nitroanilino)acetate
PubChem CID62083715
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Nameethyl 2-(2-chloro-6-nitroanilino)acetate
SMILESCCOC(=O)CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)6-12-10-7(11)4-3-5-8(10)13(15)16/h3-5,12H,2,6H2,1H3
InChIKeyBYCKUWKYCREARY-UHFFFAOYSA-N
XLogP2.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
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'}

Analyze ethyl 2-(2-chloro-6-nitroanilino)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 2-(2,6-dinitroanilino)acetate
CID 14002039
ethyl 4-(2-chloro-6-nitroanilino)butanoate
CID 64578751
ethyl 2-(2-bromo-6-nitroanilino)acetate
CID 176550415
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
N-(2-chloro-6-nitrophenyl)propanamide
CID 69018595
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)-6-nitroaniline
CID 79561264
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
1-N-(2-chloro-6-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 55032974
2-chloro-6-nitro-N-octylaniline
CID 115569026
ethyl (E)-3-(2-chloro-6-nitrophenyl)prop-2-enoate
CID 101211671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-nitroanilino)acetate?
The IUPAC name of ethyl 2-(2-chloro-6-nitroanilino)acetate (CID 62083715) is ethyl 2-(2-chloro-6-nitroanilino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-6-nitroanilino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-6-nitroanilino)acetate is CCOC(=O)CNc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-(2-chloro-6-nitroanilino)acetate?
The InChIKey is BYCKUWKYCREARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-17-9(14)6-12-10-7(11)4-3-5-8(10)13(15)16/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 2-(2-chloro-6-nitroanilino)acetate?
ethyl 2-(2-chloro-6-nitroanilino)acetate has a molecular weight of 258.66 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-nitroanilino)acetate is sourced from PubChem (CID 62083715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).