6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione

C10H9F2N3S — CID 123703130

IUPAC6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione
SMILESCNCc1cc2cc(F)c(F)nc2[nH]c1=S
InChIInChI=1S/C10H9F2N3S/c1-13-4-6-2-5-3-7(11)8(12)14-9(5)15-10(6)16/h2-3,13H,4H2,1H3,(H,14,15,16)
InChIKeySCCGWQSBYVCJJN-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.29
Rot. Bonds2

About 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione

6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione (PubChem CID 123703130) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione
PubChem CID123703130
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione
SMILESCNCc1cc2cc(F)c(F)nc2[nH]c1=S
InChIInChI=1S/C10H9F2N3S/c1-13-4-6-2-5-3-7(11)8(12)14-9(5)15-10(6)16/h2-3,13H,4H2,1H3,(H,14,15,16)
InChIKeySCCGWQSBYVCJJN-UHFFFAOYSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(methylaminomethyl)-4-sulfanylidene-1H-pyrimidin-2-one
CID 87152998
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CID 53256636
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
CID 170912588
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
CID 84750840
1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 126721634
4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
CID 83872007
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[4-chloro-5-fluoro-2-(5-methylthiophen-2-yl)phenyl]-N-methylmethanamine
CID 172536182
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543734

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione?
The IUPAC name of 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione (CID 123703130) is 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione.
What is the SMILES notation for 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione?
The canonical SMILES for 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione is CNCc1cc2cc(F)c(F)nc2[nH]c1=S.
What is the InChIKey of 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione?
The InChIKey is SCCGWQSBYVCJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-13-4-6-2-5-3-7(11)8(12)14-9(5)15-10(6)16/h2-3,13H,4H2,1H3,(H,14,15,16).
What are the key properties of 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione?
6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione has a molecular weight of 241.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione is sourced from PubChem (CID 123703130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).