ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate

C9H11ClN2O4 — CID 118141576

IUPACethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cnc(Cl)nc1
InChIInChI=1S/C9H11ClN2O4/c1-2-16-8(15)7(14)6(13)5-3-11-9(10)12-4-5/h3-4,6-7,13-14H,2H2,1H3
InChIKeyQGJBBWWCBHDYKY-UHFFFAOYSA-N
MW246.65 g/mol
LogP0.09
Rot. Bonds4

About ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate

ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate (PubChem CID 118141576) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
PubChem CID118141576
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Nameethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cnc(Cl)nc1
InChIInChI=1S/C9H11ClN2O4/c1-2-16-8(15)7(14)6(13)5-3-11-9(10)12-4-5/h3-4,6-7,13-14H,2H2,1H3
InChIKeyQGJBBWWCBHDYKY-UHFFFAOYSA-N
XLogP0.09
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
ethyl 2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propanoate
CID 171866849
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
ethyl 3-(2-chloro-5-nitro-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171866471
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate (CID 118141576) is ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1cnc(Cl)nc1.
What is the InChIKey of ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate?
The InChIKey is QGJBBWWCBHDYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c1-2-16-8(15)7(14)6(13)5-3-11-9(10)12-4-5/h3-4,6-7,13-14H,2H2,1H3.
What are the key properties of ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate?
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate has a molecular weight of 246.65 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 118141576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).