6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine

C13H13BrN2OS — CID 54971788

IUPAC6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(Br)cc1CSc1ccc(N)cn1
InChIInChI=1S/C13H13BrN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-13-5-3-11(15)7-16-13/h2-7H,8,15H2,1H3
InChIKeyWUNMKNVYUYGSLM-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.73
Rot. Bonds4

About 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine

6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 54971788) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID54971788
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(Br)cc1CSc1ccc(N)cn1
InChIInChI=1S/C13H13BrN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-13-5-3-11(15)7-16-13/h2-7H,8,15H2,1H3
InChIKeyWUNMKNVYUYGSLM-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301201
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-methylaniline
CID 79140891
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]aniline
CID 79133877
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606
N-(5-amino-2-pyridinyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 115273708
6-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43301452
4-[(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116925979
4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
CID 103008574
5-bromo-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43305831
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine (CID 54971788) is 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine is COc1ccc(Br)cc1CSc1ccc(N)cn1.
What is the InChIKey of 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is WUNMKNVYUYGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-13-5-3-11(15)7-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 325.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 54971788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).