5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine

C11H7BrF3N3S — CID 103519131

IUPAC5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESNc1cncc(Br)c1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H7BrF3N3S/c12-7-4-17-5-8(16)10(7)19-9-2-1-6(3-18-9)11(13,14)15/h1-5H,16H2
InChIKeyIIKXDNZGIUKVBK-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.99
Rot. Bonds2

About 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine

5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (PubChem CID 103519131) has the molecular formula C11H7BrF3N3S and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
PubChem CID103519131
Molecular FormulaC11H7BrF3N3S
Molecular Weight350.16 g/mol
Exact Mass348.95
IUPAC Name5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESNc1cncc(Br)c1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H7BrF3N3S/c12-7-4-17-5-8(16)10(7)19-9-2-1-6(3-18-9)11(13,14)15/h1-5H,16H2
InChIKeyIIKXDNZGIUKVBK-UHFFFAOYSA-N
XLogP3.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
5-bromo-4-pyridin-2-ylsulfanylpyridin-3-amine
CID 103519134
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
CID 15729200
[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 82809594
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
5-bromo-4-(4-bromophenyl)sulfanylpyridin-3-amine
CID 103519159
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
CID 78969097
4-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzaldehyde
CID 63803366
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
CID 103470800
5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine
CID 103519123
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
2-[(2-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 60632029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The IUPAC name of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (CID 103519131) is 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is Nc1cncc(Br)c1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The InChIKey is IIKXDNZGIUKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3S/c12-7-4-17-5-8(16)10(7)19-9-2-1-6(3-18-9)11(13,14)15/h1-5H,16H2.
What are the key properties of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine has a molecular weight of 350.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is sourced from PubChem (CID 103519131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).