3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol

C9H13BrN2OS — CID 104507687

IUPAC3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
SMILESCc1c(N)cnc(SCCCO)c1Br
InChIInChI=1S/C9H13BrN2OS/c1-6-7(11)5-12-9(8(6)10)14-4-2-3-13/h5,13H,2-4,11H2,1H3
InChIKeyRBMDQUOONYTPDJ-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.21
Rot. Bonds4

About 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol (PubChem CID 104507687) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
PubChem CID104507687
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
SMILESCc1c(N)cnc(SCCCO)c1Br
InChIInChI=1S/C9H13BrN2OS/c1-6-7(11)5-12-9(8(6)10)14-4-2-3-13/h5,13H,2-4,11H2,1H3
InChIKeyRBMDQUOONYTPDJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
CID 104507641
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859445
3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651203
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 112736273
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651345
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol?
The IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol (CID 104507687) is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol?
The canonical SMILES for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol is Cc1c(N)cnc(SCCCO)c1Br.
What is the InChIKey of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol?
The InChIKey is RBMDQUOONYTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6-7(11)5-12-9(8(6)10)14-4-2-3-13/h5,13H,2-4,11H2,1H3.
What are the key properties of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol?
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol has a molecular weight of 277.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol is sourced from PubChem (CID 104507687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).