ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate

C11H13ClN2O4 — CID 88995427

IUPACethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)N(Cl)C(=O)c1ccccn1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-11(17)9(7-15)14(12)10(16)8-5-3-4-6-13-8/h3-6,9,15H,2,7H2,1H3
InChIKeySDWWHNHXAWARJC-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate

ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 88995427) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID88995427
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Nameethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)N(Cl)C(=O)c1ccccn1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-11(17)9(7-15)14(12)10(16)8-5-3-4-6-13-8/h3-6,9,15H,2,7H2,1H3
InChIKeySDWWHNHXAWARJC-UHFFFAOYSA-N
XLogP0.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
ethyl 3-hydroxy-2-[methoxy(pyridine-2-carbonyl)amino]propanoate
CID 88995371
ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995426
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate
CID 59226293
N-methylpyridine-2-carbohydrazide
CID 45084309
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate (CID 88995427) is ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate is CCOC(=O)C(CO)N(Cl)C(=O)c1ccccn1.
What is the InChIKey of ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is SDWWHNHXAWARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-2-18-11(17)9(7-15)14(12)10(16)8-5-3-4-6-13-8/h3-6,9,15H,2,7H2,1H3.
What are the key properties of ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate?
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 272.69 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 88995427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).