2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine

C12H11BrN2S — CID 43300797

IUPAC2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2S/c13-10-5-3-9(4-6-10)8-16-12-11(14)2-1-7-15-12/h1-7H,8,14H2
InChIKeyZQWHKGCQJBUDPF-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.72
Rot. Bonds3

About 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine

2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300797) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43300797
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2S/c13-10-5-3-9(4-6-10)8-16-12-11(14)2-1-7-15-12/h1-7H,8,14H2
InChIKeyZQWHKGCQJBUDPF-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine
CID 104797919
3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678727
2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
CID 105403862
2-[(4-bromophenyl)methylsulfanyl]pyrimidine
CID 19727890
2-[(5-methyl-3-pyridinyl)methylsulfanyl]pyridin-3-amine
CID 102878437
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
2-[(3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43300860
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706
hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
CID 66338434
2-but-2-ynylsulfanylpyridin-3-amine
CID 62311743
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
CID 43300189

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine (CID 43300797) is 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is ZQWHKGCQJBUDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c13-10-5-3-9(4-6-10)8-16-12-11(14)2-1-7-15-12/h1-7H,8,14H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine?
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 295.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).