methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate

C10H12N2O2 — CID 131594863

IUPACmethyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)NCCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)6-12-8/h5-6,11H,2-4H2,1H3
InChIKeyCFHWATQQRXIAMH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.23
Rot. Bonds1

About methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate

methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate (PubChem CID 131594863) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate
PubChem CID131594863
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)NCCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)6-12-8/h5-6,11H,2-4H2,1H3
InChIKeyCFHWATQQRXIAMH-UHFFFAOYSA-N
XLogP1.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate?
The IUPAC name of methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate (CID 131594863) is methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate is COC(=O)c1cc2c(cn1)NCCC2.
What is the InChIKey of methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate?
The InChIKey is CFHWATQQRXIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)6-12-8/h5-6,11H,2-4H2,1H3.
What are the key properties of methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate?
methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 131594863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).