5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione

C9H6F2N2S — CID 118004986

IUPAC5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
SMILESCc1cc2c(F)c(F)cnc2[nH]c1=S
InChIInChI=1S/C9H6F2N2S/c1-4-2-5-7(11)6(10)3-12-8(5)13-9(4)14/h2-3H,1H3,(H,12,13,14)
InChIKeyUZQBIVUFNVOBFE-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.88
Rot. Bonds

About 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione

5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione (PubChem CID 118004986) has the molecular formula C9H6F2N2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
PubChem CID118004986
Molecular FormulaC9H6F2N2S
Molecular Weight212.22 g/mol
Exact Mass212.02
IUPAC Name5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
SMILESCc1cc2c(F)c(F)cnc2[nH]c1=S
InChIInChI=1S/C9H6F2N2S/c1-4-2-5-7(11)6(10)3-12-8(5)13-9(4)14/h2-3H,1H3,(H,12,13,14)
InChIKeyUZQBIVUFNVOBFE-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione?
The IUPAC name of 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione (CID 118004986) is 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione.
What is the SMILES notation for 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione?
The canonical SMILES for 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione is Cc1cc2c(F)c(F)cnc2[nH]c1=S.
What is the InChIKey of 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione?
The InChIKey is UZQBIVUFNVOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S/c1-4-2-5-7(11)6(10)3-12-8(5)13-9(4)14/h2-3H,1H3,(H,12,13,14).
What are the key properties of 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione?
5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione has a molecular weight of 212.22 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione is sourced from PubChem (CID 118004986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).