ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate

C13H13ClN2O2 — CID 164883937

IUPACethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)8(2)10-5-4-9-7-15-12(14)6-11(9)16-10/h4-8H,3H2,1-2H3
InChIKeyYTMIKVVTEANNPE-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.95
Rot. Bonds3

About ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate

ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate (PubChem CID 164883937) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate
PubChem CID164883937
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)8(2)10-5-4-9-7-15-12(14)6-11(9)16-10/h4-8H,3H2,1-2H3
InChIKeyYTMIKVVTEANNPE-UHFFFAOYSA-N
XLogP2.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate?
The IUPAC name of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate (CID 164883937) is ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate is CCOC(=O)C(C)c1ccc2cnc(Cl)cc2n1.
What is the InChIKey of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate?
The InChIKey is YTMIKVVTEANNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-13(17)8(2)10-5-4-9-7-15-12(14)6-11(9)16-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate?
ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate has a molecular weight of 264.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate is sourced from PubChem (CID 164883937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).