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

C9H10ClN3O4 — CID 15617221

IUPACethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-2-17-8(14)5-11-9-6(13(15)16)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H,11,12)
InChIKeyQXPDZDILEVKSOS-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate (PubChem CID 15617221) has the molecular formula C9H10ClN3O4 and a molecular weight of 259.65 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
PubChem CID15617221
Molecular FormulaC9H10ClN3O4
Molecular Weight259.65 g/mol
Exact Mass259.04
IUPAC Nameethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-2-17-8(14)5-11-9-6(13(15)16)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H,11,12)
InChIKeyQXPDZDILEVKSOS-UHFFFAOYSA-N
XLogP1.62
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
ethyl 2-(2-chloro-6-nitroanilino)acetate
CID 62083715
ethyl 2-(2,6-dinitroanilino)acetate
CID 14002039
ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate
CID 15617222
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate (CID 15617221) is ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate is CCOC(=O)CNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate?
The InChIKey is QXPDZDILEVKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4/c1-2-17-8(14)5-11-9-6(13(15)16)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate?
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate has a molecular weight of 259.65 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-chloro-3-nitro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 15617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).