ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate

C11H15ClN2O3 — CID 175531245

IUPACethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)n(CC(C)N)c1=O
InChIInChI=1S/C11H15ClN2O3/c1-3-17-11(16)8-4-5-9(12)14(10(8)15)6-7(2)13/h4-5,7H,3,6,13H2,1-2H3
InChIKeyKBNVYLOVKPNCOA-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.03
Rot. Bonds4

About ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate

ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate (PubChem CID 175531245) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate
PubChem CID175531245
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Nameethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)n(CC(C)N)c1=O
InChIInChI=1S/C11H15ClN2O3/c1-3-17-11(16)8-4-5-9(12)14(10(8)15)6-7(2)13/h4-5,7H,3,6,13H2,1-2H3
InChIKeyKBNVYLOVKPNCOA-UHFFFAOYSA-N
XLogP1.03
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.03
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

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CID 82551782
ethyl 4-oxoquinolizine-3-carboxylate
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ethyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530988
3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
CID 82144130
ethyl 2-(2-bromoethyl)-4-chlorobenzoate
CID 174442445
ethyl 4-amino-3-bromo-2-chlorobenzoate
CID 171016631
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate (CID 175531245) is ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(Cl)n(CC(C)N)c1=O.
What is the InChIKey of ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate?
The InChIKey is KBNVYLOVKPNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-17-11(16)8-4-5-9(12)14(10(8)15)6-7(2)13/h4-5,7H,3,6,13H2,1-2H3.
What are the key properties of ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate?
ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate has a molecular weight of 258.70 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-aminopropyl)-6-chloro-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 175531245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).