methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

C9H10ClNO4 — CID 171863547

IUPACmethyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3
InChIKeyNWVWQUMSKVWAAB-UHFFFAOYSA-N
MW231.63 g/mol
LogP0.30
Rot. Bonds3

About methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate

methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (PubChem CID 171863547) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
PubChem CID171863547
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Namemethyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3
InChIKeyNWVWQUMSKVWAAB-UHFFFAOYSA-N
XLogP0.30
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863533
3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
CID 170827537
methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
CID 171868625
methyl 3-(5-chloro-2-formylphenyl)-2,3-dihydroxypropanoate
CID 171863945
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
CID 101372660
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864522
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
methyl 3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropanoate
CID 171864822
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863884

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate (CID 171863547) is methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cc(Cl)ccn1.
What is the InChIKey of methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
The InChIKey is NWVWQUMSKVWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-15-9(14)8(13)7(12)6-4-5(10)2-3-11-6/h2-4,7-8,12-13H,1H3.
What are the key properties of methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate?
methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate has a molecular weight of 231.63 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).