1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate

C11H15ClN2O3 — CID 114090919

IUPAC1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
SMILESCCOCC(C)OC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H15ClN2O3/c1-3-16-6-7(2)17-11(15)8-4-10(12)14-5-9(8)13/h4-5,7H,3,6,13H2,1-2H3
InChIKeyNMRPNIMJLJVAHI-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.90
Rot. Bonds5

About 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate

1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate (PubChem CID 114090919) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
PubChem CID114090919
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
SMILESCCOCC(C)OC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H15ClN2O3/c1-3-16-6-7(2)17-11(15)8-4-10(12)14-5-9(8)13/h4-5,7H,3,6,13H2,1-2H3
InChIKeyNMRPNIMJLJVAHI-UHFFFAOYSA-N
XLogP1.90
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.90
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

1-ethoxypropan-2-yl 2,4-diaminobenzoate
CID 103489471
1-ethoxypropan-2-yl 2-amino-5-bromobenzoate
CID 103489075
1-ethoxypropan-2-yl 2-amino-4-bromobenzoate
CID 103488997
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
1-ethoxypropan-2-yl 2-chloro-5-sulfamoylbenzoate
CID 103491260
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
1-ethoxypropan-2-yl 2-sulfanylbenzoate
CID 107019199
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate (CID 114090919) is 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate is CCOCC(C)OC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate?
The InChIKey is NMRPNIMJLJVAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-16-6-7(2)17-11(15)8-4-10(12)14-5-9(8)13/h4-5,7H,3,6,13H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate?
1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate has a molecular weight of 258.70 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate is sourced from PubChem (CID 114090919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).