(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine

C11H11BrN2S — CID 105173903

IUPAC(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2csc(Br)c2)c1
InChIInChI=1S/C11H11BrN2S/c1-7-2-8(5-14-4-7)11(13)9-3-10(12)15-6-9/h2-6,11H,13H2,1H3
InChIKeyQOBCCCPUPIZHIY-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.26
Rot. Bonds2

About (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine

(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105173903) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID105173903
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2csc(Br)c2)c1
InChIInChI=1S/C11H11BrN2S/c1-7-2-8(5-14-4-7)11(13)9-3-10(12)15-6-9/h2-6,11H,13H2,1H3
InChIKeyQOBCCCPUPIZHIY-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105299375
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769478
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine (CID 105173903) is (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2csc(Br)c2)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is QOBCCCPUPIZHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-2-8(5-14-4-7)11(13)9-3-10(12)15-6-9/h2-6,11H,13H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine?
(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 283.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105173903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).