6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine

C12H10N2S — CID 58517811

IUPAC6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
SMILESCSc1cc2cccnc2n2cccc12
InChIInChI=1S/C12H10N2S/c1-15-11-8-9-4-2-6-13-12(9)14-7-3-5-10(11)14/h2-8H,1H3
InChIKeyHHVRHDJOMWHRID-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.21
Rot. Bonds1

About 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine

6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine (PubChem CID 58517811) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
PubChem CID58517811
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
SMILESCSc1cc2cccnc2n2cccc12
InChIInChI=1S/C12H10N2S/c1-15-11-8-9-4-2-6-13-12(9)14-7-3-5-10(11)14/h2-8H,1H3
InChIKeyHHVRHDJOMWHRID-UHFFFAOYSA-N
XLogP3.21
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine?
The IUPAC name of 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine (CID 58517811) is 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine is CSc1cc2cccnc2n2cccc12.
What is the InChIKey of 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine?
The InChIKey is HHVRHDJOMWHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-15-11-8-9-4-2-6-13-12(9)14-7-3-5-10(11)14/h2-8H,1H3.
What are the key properties of 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine?
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine has a molecular weight of 214.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 58517811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).