ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

C10H13ClN2O4 — CID 171865756

IUPACethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1nc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O4/c1-2-17-10(16)9(15)8(14)7-5(12)3-4-6(11)13-7/h3-4,8-9,14-15H,2,12H2,1H3
InChIKeyVPOMSNACCREAST-UHFFFAOYSA-N
MW260.68 g/mol
LogP0.27
Rot. Bonds4

About ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171865756) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171865756
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Nameethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1nc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O4/c1-2-17-10(16)9(15)8(14)7-5(12)3-4-6(11)13-7/h3-4,8-9,14-15H,2,12H2,1H3
InChIKeyVPOMSNACCREAST-UHFFFAOYSA-N
XLogP0.27
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865781
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754
6-chloro-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-2-carboxylic acid
CID 171866522
diethyl 2-(3,6-dichloro-2-pyridinyl)propanedioate
CID 163388878
ethyl 4-amino-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171867019
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
ethyl 3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866170
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
ethyl 3-(2-amino-5-propan-2-ylphenyl)-2,3-dihydroxypropanoate
CID 171866516

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (CID 171865756) is ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1nc(Cl)ccc1N.
What is the InChIKey of ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is VPOMSNACCREAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4/c1-2-17-10(16)9(15)8(14)7-5(12)3-4-6(11)13-7/h3-4,8-9,14-15H,2,12H2,1H3.
What are the key properties of ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 260.68 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-6-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).