ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

C10H12ClNO4 — CID 171865586

IUPACethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClNO4/c1-2-16-10(15)9(14)8(13)7-4-3-6(11)5-12-7/h3-5,8-9,13-14H,2H2,1H3
InChIKeyXXKUCGINQQCQHJ-UHFFFAOYSA-N
MW245.66 g/mol
LogP0.69
Rot. Bonds4

About ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171865586) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171865586
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Nameethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClNO4/c1-2-16-10(15)9(14)8(13)7-4-3-6(11)5-12-7/h3-5,8-9,13-14H,2H2,1H3
InChIKeyXXKUCGINQQCQHJ-UHFFFAOYSA-N
XLogP0.69
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243
3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid
CID 171866602

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (CID 171865586) is ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(Cl)cn1.
What is the InChIKey of ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is XXKUCGINQQCQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-2-16-10(15)9(14)8(13)7-4-3-6(11)5-12-7/h3-5,8-9,13-14H,2H2,1H3.
What are the key properties of ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 245.66 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).