5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine

C10H15BrN2S — CID 107748063

IUPAC5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine
SMILESCCC(C)CSc1ncc(Br)cc1N
InChIInChI=1S/C10H15BrN2S/c1-3-7(2)6-14-10-9(12)4-8(11)5-13-10/h4-5,7H,3,6,12H2,1-2H3
InChIKeySMOGXILMYVDSOM-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.56
Rot. Bonds4

About 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine

5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine (PubChem CID 107748063) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine
PubChem CID107748063
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine
SMILESCCC(C)CSc1ncc(Br)cc1N
InChIInChI=1S/C10H15BrN2S/c1-3-7(2)6-14-10-9(12)4-8(11)5-13-10/h4-5,7H,3,6,12H2,1-2H3
InChIKeySMOGXILMYVDSOM-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methylbutylsulfanyl)pyridine-3-carboxylic acid
CID 107747337
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 79478026
6-methyl-2-(2-methylbutylsulfanyl)pyridin-3-amine
CID 107747976
3-bromo-4-(2-methylbutylsulfanyl)aniline
CID 82841459
[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
CID 107752068
methyl 3-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79713622
5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine
CID 107869179
3-bromo-5-(2-methylbutylsulfanylmethyl)aniline
CID 107748880
5-bromo-2-phenylsulfanylpyridin-3-amine
CID 61228876
3-[(3-amino-5-bromo-2-pyridinyl)-methylamino]butanenitrile
CID 63225630
5-bromopyridine-2,3-diamine;ethane
CID 90880932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine (CID 107748063) is 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine is CCC(C)CSc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine?
The InChIKey is SMOGXILMYVDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-3-7(2)6-14-10-9(12)4-8(11)5-13-10/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine?
5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 107748063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).