methyl 1,6-naphthyridine-2-carboxylate

C10H8N2O2 — CID 2761109

IUPACmethyl 1,6-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9-3-2-7-6-11-5-4-8(7)12-9/h2-6H,1H3
InChIKeyMYBDMKUTAMPZRT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.42
Rot. Bonds1

About methyl 1,6-naphthyridine-2-carboxylate

methyl 1,6-naphthyridine-2-carboxylate (PubChem CID 2761109) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl 1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,6-naphthyridine-2-carboxylate
PubChem CID2761109
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namemethyl 1,6-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9-3-2-7-6-11-5-4-8(7)12-9/h2-6H,1H3
InChIKeyMYBDMKUTAMPZRT-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,6-naphthyridine-2-carboxylate?
The IUPAC name of methyl 1,6-naphthyridine-2-carboxylate (CID 2761109) is methyl 1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 1,6-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 1,6-naphthyridine-2-carboxylate is COC(=O)c1ccc2cnccc2n1.
What is the InChIKey of methyl 1,6-naphthyridine-2-carboxylate?
The InChIKey is MYBDMKUTAMPZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-10(13)9-3-2-7-6-11-5-4-8(7)12-9/h2-6H,1H3.
What are the key properties of methyl 1,6-naphthyridine-2-carboxylate?
methyl 1,6-naphthyridine-2-carboxylate has a molecular weight of 188.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 2761109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).