ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate

C11H15ClN2O4 — CID 171897021

IUPACethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cc(Cl)cnc1N
InChIInChI=1S/C11H15ClN2O4/c1-2-18-9(16)4-8(15)10(17)7-3-6(12)5-14-11(7)13/h3,5,8,10,15,17H,2,4H2,1H3,(H2,13,14)
InChIKeyVSEMHCZFFPPSTA-UHFFFAOYSA-N
MW274.70 g/mol
LogP0.66
Rot. Bonds5

About ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate

ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate (PubChem CID 171897021) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
PubChem CID171897021
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Nameethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cc(Cl)cnc1N
InChIInChI=1S/C11H15ClN2O4/c1-2-18-9(16)4-8(15)10(17)7-3-6(12)5-14-11(7)13/h3,5,8,10,15,17H,2,4H2,1H3,(H2,13,14)
InChIKeyVSEMHCZFFPPSTA-UHFFFAOYSA-N
XLogP0.66
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171897131
2-[4-chloro-2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171897925
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
ethyl 4-(4-amino-2,5-dichlorophenyl)-3,4-dihydroxybutanoate
CID 171897457
ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
CID 171897017
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
CID 171895967
ethyl 4-(3-chloro-4-pyridinyl)-3,4-dihydroxybutanoate
CID 171896863
3-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-5-methylpyridine-2-carboxylic acid
CID 171897836
methyl 4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutanoate
CID 171895389
ethyl 4-(4-amino-2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171897865

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate (CID 171897021) is ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1cc(Cl)cnc1N.
What is the InChIKey of ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate?
The InChIKey is VSEMHCZFFPPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-2-18-9(16)4-8(15)10(17)7-3-6(12)5-14-11(7)13/h3,5,8,10,15,17H,2,4H2,1H3,(H2,13,14).
What are the key properties of ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate?
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate has a molecular weight of 274.70 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171897021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).