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

C11H7BrF3N3S — CID 106796767

IUPAC4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESNc1cnccc1Sc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H7BrF3N3S/c12-6-3-7(11(13,14)15)10(18-4-6)19-9-1-2-17-5-8(9)16/h1-5H,16H2
InChIKeyJJAAEPKZHOBGAD-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.99
Rot. Bonds2

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

4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (PubChem CID 106796767) has the molecular formula C11H7BrF3N3S and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
PubChem CID106796767
Molecular FormulaC11H7BrF3N3S
Molecular Weight350.16 g/mol
Exact Mass348.95
IUPAC Name4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
SMILESNc1cnccc1Sc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H7BrF3N3S/c12-6-3-7(11(13,14)15)10(18-4-6)19-9-1-2-17-5-8(9)16/h1-5H,16H2
InChIKeyJJAAEPKZHOBGAD-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

4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 79718644
4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
CID 63872669
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
CID 142433853
4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine
CID 58266394
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 106795831
3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
CID 62939764
(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707725
5-pyridin-4-yl-2-(trifluoromethyl)aniline
CID 46317171
4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine
CID 106705067
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300126

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The IUPAC name of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine (CID 106796767) is 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is Nc1cnccc1Sc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
The InChIKey is JJAAEPKZHOBGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3S/c12-6-3-7(11(13,14)15)10(18-4-6)19-9-1-2-17-5-8(9)16/h1-5H,16H2.
What are the key properties of 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine?
4-[[5-bromo-3-(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 4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine is sourced from PubChem (CID 106796767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).