3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C8H9F3N2S2 — CID 146374523

IUPAC3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCSSCc1ccc(C(F)(F)F)nc1N
InChIInChI=1S/C8H9F3N2S2/c1-14-15-4-5-2-3-6(8(9,10)11)13-7(5)12/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyPGHOYGMXQSLBDH-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.19
Rot. Bonds3

About 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine

3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 146374523) has the molecular formula C8H9F3N2S2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID146374523
Molecular FormulaC8H9F3N2S2
Molecular Weight254.30 g/mol
Exact Mass254.02
IUPAC Name3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCSSCc1ccc(C(F)(F)F)nc1N
InChIInChI=1S/C8H9F3N2S2/c1-14-15-4-5-2-3-6(8(9,10)11)13-7(5)12/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyPGHOYGMXQSLBDH-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118703990
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 171367185
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876736
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 155585893
3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
CID 131492152
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
[3-amino-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 53414335
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876668

Frequently Asked Questions

What is the IUPAC name of 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 146374523) is 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine is CSSCc1ccc(C(F)(F)F)nc1N.
What is the InChIKey of 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PGHOYGMXQSLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S2/c1-14-15-4-5-2-3-6(8(9,10)11)13-7(5)12/h2-3H,4H2,1H3,(H2,12,13).
What are the key properties of 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 254.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(methyldisulfanyl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146374523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).