methyl 1H-2,7-naphthyridine-2-carboxylate

C10H10N2O2 — CID 145489770

IUPACmethyl 1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1C=Cc2ccncc2C1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)12-5-3-8-2-4-11-6-9(8)7-12/h2-6H,7H2,1H3
InChIKeyDYIIYXUQTDKAGF-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.63
Rot. Bonds

About methyl 1H-2,7-naphthyridine-2-carboxylate

methyl 1H-2,7-naphthyridine-2-carboxylate (PubChem CID 145489770) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1H-2,7-naphthyridine-2-carboxylate
PubChem CID145489770
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1C=Cc2ccncc2C1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)12-5-3-8-2-4-11-6-9(8)7-12/h2-6H,7H2,1H3
InChIKeyDYIIYXUQTDKAGF-UHFFFAOYSA-N
XLogP1.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 1H-2,7-naphthyridine-2-carboxylate (CID 145489770) is methyl 1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1C=Cc2ccncc2C1.
What is the InChIKey of methyl 1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is DYIIYXUQTDKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)12-5-3-8-2-4-11-6-9(8)7-12/h2-6H,7H2,1H3.
What are the key properties of methyl 1H-2,7-naphthyridine-2-carboxylate?
methyl 1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 145489770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).