ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate

C16H15ClN2O3 — CID 88847411

IUPACethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1c(N)cc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-14(20)8-11-12(18)9-13(17)19-15(11)16(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,18,19)
InChIKeyBUEPQJQSBLHJQL-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate

ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate (PubChem CID 88847411) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate
PubChem CID88847411
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Nameethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1c(N)cc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-14(20)8-11-12(18)9-13(17)19-15(11)16(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,18,19)
InChIKeyBUEPQJQSBLHJQL-UHFFFAOYSA-N
XLogP2.65
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(6-amino-4-benzoylnaphthalen-2-yl)acetate
CID 154107970
ethyl 2-(5-benzoyl-1H-pyrrol-3-yl)acetate
CID 14611895
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-phenylacetate
CID 7590
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]acetate
CID 18962425
9-(2-ethoxy-2-oxoethyl)anthracene-2-carboxylic acid
CID 174485595
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate (CID 88847411) is ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate is CCOC(=O)Cc1c(N)cc(Cl)nc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate?
The InChIKey is BUEPQJQSBLHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-22-14(20)8-11-12(18)9-13(17)19-15(11)16(21)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,18,19).
What are the key properties of ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate?
ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate has a molecular weight of 318.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate is sourced from PubChem (CID 88847411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).