methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate

C11H9ClN2O2 — CID 162439649

IUPACmethyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C11H9ClN2O2/c1-16-11(15)4-8-3-2-7-6-13-10(12)5-9(7)14-8/h2-3,5-6H,4H2,1H3
InChIKeyNUQVPEPNXVUCNL-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds2

About methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate

methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate (PubChem CID 162439649) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate
PubChem CID162439649
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C11H9ClN2O2/c1-16-11(15)4-8-3-2-7-6-13-10(12)5-9(7)14-8/h2-3,5-6H,4H2,1H3
InChIKeyNUQVPEPNXVUCNL-UHFFFAOYSA-N
XLogP2.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
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 methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate (CID 162439649) is methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate is COC(=O)Cc1ccc2cnc(Cl)cc2n1.
What is the InChIKey of methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate?
The InChIKey is NUQVPEPNXVUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-11(15)4-8-3-2-7-6-13-10(12)5-9(7)14-8/h2-3,5-6H,4H2,1H3.
What are the key properties of methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate?
methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate has a molecular weight of 236.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate is sourced from PubChem (CID 162439649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).