6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine

C14H15BrN2O2S — CID 43301201

IUPAC6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1cc(CSc2ccc(N)cn2)c(OC)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-12-6-11(15)13(19-2)5-9(12)8-20-14-4-3-10(16)7-17-14/h3-7H,8,16H2,1-2H3
InChIKeyFFTNUKLIAWWAGH-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.74
Rot. Bonds5

About 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine

6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43301201) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43301201
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1cc(CSc2ccc(N)cn2)c(OC)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-12-6-11(15)13(19-2)5-9(12)8-20-14-4-3-10(16)7-17-14/h3-7H,8,16H2,1-2H3
InChIKeyFFTNUKLIAWWAGH-UHFFFAOYSA-N
XLogP3.74
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43249092
6-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43301452
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79128352
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 102616314
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]ethanamine
CID 43249544
3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 17498848
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43301251
6-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 63021346

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine (CID 43301201) is 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine is COc1cc(CSc2ccc(N)cn2)c(OC)cc1Br.
What is the InChIKey of 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is FFTNUKLIAWWAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-18-12-6-11(15)13(19-2)5-9(12)8-20-14-4-3-10(16)7-17-14/h3-7H,8,16H2,1-2H3.
What are the key properties of 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine?
6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 355.26 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).