5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine

C12H11BrN2S — CID 103519123

IUPAC5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2c(N)cncc2Br)cc1
InChIInChI=1S/C12H11BrN2S/c1-8-2-4-9(5-3-8)16-12-10(13)6-15-7-11(12)14/h2-7H,14H2,1H3
InChIKeyBXDGXCOGEHRNSN-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.89
Rot. Bonds2

About 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine

5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine (PubChem CID 103519123) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine
PubChem CID103519123
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2c(N)cncc2Br)cc1
InChIInChI=1S/C12H11BrN2S/c1-8-2-4-9(5-3-8)16-12-10(13)6-15-7-11(12)14/h2-7H,14H2,1H3
InChIKeyBXDGXCOGEHRNSN-UHFFFAOYSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-bromophenyl)sulfanylpyridin-3-amine
CID 103519159
5-bromo-4-(3,4-dichlorophenyl)sulfanylpyridin-3-amine
CID 103519211
5-bromo-4-pyridin-2-ylsulfanylpyridin-3-amine
CID 103519134
5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 103519175
2-[(3-amino-5-bromo-4-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 103519154
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 103519131
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
3,5-dichloro-4-(4-methylphenyl)sulfanylaniline
CID 70590828
1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene
CID 102478519
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
6-bromo-4-(4-methylphenyl)sulfanylisoquinoline
CID 151635182
5-bromo-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66303876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine (CID 103519123) is 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine is Cc1ccc(Sc2c(N)cncc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine?
The InChIKey is BXDGXCOGEHRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c1-8-2-4-9(5-3-8)16-12-10(13)6-15-7-11(12)14/h2-7H,14H2,1H3.
What are the key properties of 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine?
5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine has a molecular weight of 295.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 103519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).