[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine

C13H12BrFN2S — CID 64765590

IUPAC[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1ncccc1Br
InChIInChI=1S/C13H12BrFN2S/c14-12-2-1-5-17-13(12)18-8-10-6-11(15)4-3-9(10)7-16/h1-6H,7-8,16H2
InChIKeyLATKVBWNWFAEEA-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.73
Rot. Bonds4

About [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine

[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine (PubChem CID 64765590) has the molecular formula C13H12BrFN2S and a molecular weight of 327.22 g/mol. Its IUPAC name is [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
PubChem CID64765590
Molecular FormulaC13H12BrFN2S
Molecular Weight327.22 g/mol
Exact Mass325.99
IUPAC Name[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1ncccc1Br
InChIInChI=1S/C13H12BrFN2S/c14-12-2-1-5-17-13(12)18-8-10-6-11(15)4-3-9(10)7-16/h1-6H,7-8,16H2
InChIKeyLATKVBWNWFAEEA-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3-chlorophenyl]methanamine
CID 102669152
3-bromo-4-[(3-bromo-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 102765830
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525232
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
CID 103060224
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77037069
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 63289568
[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65043451
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine (CID 64765590) is [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CSc1ncccc1Br.
What is the InChIKey of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine?
The InChIKey is LATKVBWNWFAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2S/c14-12-2-1-5-17-13(12)18-8-10-6-11(15)4-3-9(10)7-16/h1-6H,7-8,16H2.
What are the key properties of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine?
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine has a molecular weight of 327.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 64765590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).