methyl 3-(2-chloropyrimidin-5-yl)propanoate

C8H9ClN2O2 — CID 146344248

IUPACmethyl 3-(2-chloropyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(Cl)nc1
InChIInChI=1S/C8H9ClN2O2/c1-13-7(12)3-2-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3
InChIKeyICDRQXCXWCJFDR-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.24
Rot. Bonds3

About methyl 3-(2-chloropyrimidin-5-yl)propanoate

methyl 3-(2-chloropyrimidin-5-yl)propanoate (PubChem CID 146344248) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is methyl 3-(2-chloropyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chloropyrimidin-5-yl)propanoate
PubChem CID146344248
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Namemethyl 3-(2-chloropyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(Cl)nc1
InChIInChI=1S/C8H9ClN2O2/c1-13-7(12)3-2-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3
InChIKeyICDRQXCXWCJFDR-UHFFFAOYSA-N
XLogP1.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
CID 144659274
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[(2-chloropyrimidin-5-yl)sulfonyl-methylamino]propanoate
CID 55002182
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
CID 174467407
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloropyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(2-chloropyrimidin-5-yl)propanoate (CID 146344248) is methyl 3-(2-chloropyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2-chloropyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(2-chloropyrimidin-5-yl)propanoate is COC(=O)CCc1cnc(Cl)nc1.
What is the InChIKey of methyl 3-(2-chloropyrimidin-5-yl)propanoate?
The InChIKey is ICDRQXCXWCJFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-7(12)3-2-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-(2-chloropyrimidin-5-yl)propanoate?
methyl 3-(2-chloropyrimidin-5-yl)propanoate has a molecular weight of 200.63 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloropyrimidin-5-yl)propanoate is sourced from PubChem (CID 146344248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).