methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C10H12N2O2 — CID 76851912

IUPACmethyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCOC(=O)N1CCc2cccnc2C1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)12-6-4-8-3-2-5-11-9(8)7-12/h2-3,5H,4,6-7H2,1H3
InChIKeyLYVKZYKEAIBYHX-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.21
Rot. Bonds

About methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 76851912) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID76851912
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCOC(=O)N1CCc2cccnc2C1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)12-6-4-8-3-2-5-11-9(8)7-12/h2-3,5H,4,6-7H2,1H3
InChIKeyLYVKZYKEAIBYHX-UHFFFAOYSA-N
XLogP1.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 76851912) is methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is COC(=O)N1CCc2cccnc2C1.
What is the InChIKey of methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is LYVKZYKEAIBYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)12-6-4-8-3-2-5-11-9(8)7-12/h2-3,5H,4,6-7H2,1H3.
What are the key properties of methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 76851912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).