2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine

C13H13BrN2S — CID 114057620

IUPAC2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1Sc1ccccc1Br
InChIInChI=1S/C13H13BrN2S/c14-11-5-1-2-6-12(11)17-13-10(7-8-15)4-3-9-16-13/h1-6,9H,7-8,15H2
InChIKeyKVWKHPLKTWHPCN-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine

2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine (PubChem CID 114057620) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
PubChem CID114057620
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1Sc1ccccc1Br
InChIInChI=1S/C13H13BrN2S/c14-11-5-1-2-6-12(11)17-13-10(7-8-15)4-3-9-16-13/h1-6,9H,7-8,15H2
InChIKeyKVWKHPLKTWHPCN-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 114070487
2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057147
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057606
3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
CID 170878302
2-[4-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 114866444
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
3-(2-bromophenyl)sulfanylpyrazine-2-carboximidamide
CID 62685598
2-[2-(aminomethyl)-3-bromophenyl]sulfanylpyridine-3-carboxylic acid;hydrochloride
CID 175602630
2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66145276
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine (CID 114057620) is 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine is NCCc1cccnc1Sc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine?
The InChIKey is KVWKHPLKTWHPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c14-11-5-1-2-6-12(11)17-13-10(7-8-15)4-3-9-16-13/h1-6,9H,7-8,15H2.
What are the key properties of 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine?
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine has a molecular weight of 309.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 114057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).