6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate

C10H11N2O2- — CID 163670046

IUPAC6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
SMILESCN1CCc2nc(C(=O)[O-])ccc2C1
InChIInChI=1S/C10H12N2O2/c1-12-5-4-8-7(6-12)2-3-9(11-8)10(13)14/h2-3H,4-6H2,1H3,(H,13,14)/p-1
InChIKeyJBSZGTIEYFCKQQ-UHFFFAOYSA-M
MW191.21 g/mol
LogP-0.57
Rot. Bonds1

About 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate

6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate (PubChem CID 163670046) has the molecular formula C10H11N2O2- and a molecular weight of 191.21 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
PubChem CID163670046
Molecular FormulaC10H11N2O2-
Molecular Weight191.21 g/mol
Exact Mass191.08
IUPAC Name6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
SMILESCN1CCc2nc(C(=O)[O-])ccc2C1
InChIInChI=1S/C10H12N2O2/c1-12-5-4-8-7(6-12)2-3-9(11-8)10(13)14/h2-3H,4-6H2,1H3,(H,13,14)/p-1
InChIKeyJBSZGTIEYFCKQQ-UHFFFAOYSA-M
XLogP-0.57
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate?
The IUPAC name of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate (CID 163670046) is 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate?
The canonical SMILES for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate is CN1CCc2nc(C(=O)[O-])ccc2C1.
What is the InChIKey of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate?
The InChIKey is JBSZGTIEYFCKQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O2/c1-12-5-4-8-7(6-12)2-3-9(11-8)10(13)14/h2-3H,4-6H2,1H3,(H,13,14)/p-1.
What are the key properties of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate?
6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate has a molecular weight of 191.21 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 163670046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).