methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate

C13H13ClN2O2 — CID 90362838

IUPACmethyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate
SMILESCOC(=O)C(C)c1c(Cl)cnc2ccc(C)nc12
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10-12(16-7)11(9(14)6-15-10)8(2)13(17)18-3/h4-6,8H,1-3H3
InChIKeyYSLPEKVUZSFSHT-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.87
Rot. Bonds2

About methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate

methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate (PubChem CID 90362838) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate
PubChem CID90362838
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate
SMILESCOC(=O)C(C)c1c(Cl)cnc2ccc(C)nc12
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10-12(16-7)11(9(14)6-15-10)8(2)13(17)18-3/h4-6,8H,1-3H3
InChIKeyYSLPEKVUZSFSHT-UHFFFAOYSA-N
XLogP2.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate?
The IUPAC name of methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate (CID 90362838) is methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate?
The canonical SMILES for methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate is COC(=O)C(C)c1c(Cl)cnc2ccc(C)nc12.
What is the InChIKey of methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate?
The InChIKey is YSLPEKVUZSFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-5-10-12(16-7)11(9(14)6-15-10)8(2)13(17)18-3/h4-6,8H,1-3H3.
What are the key properties of methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate?
methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate has a molecular weight of 264.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate is sourced from PubChem (CID 90362838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).