1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

C12H13BrN2S — CID 112582506

IUPAC1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cccc(Br)n1
InChIInChI=1S/C12H13BrN2S/c1-9-7-16-8-10(9)5-14-6-11-3-2-4-12(13)15-11/h2-4,7-8,14H,5-6H2,1H3
InChIKeyGKYZKZVYPRJUIV-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.50
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (PubChem CID 112582506) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
PubChem CID112582506
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cccc(Br)n1
InChIInChI=1S/C12H13BrN2S/c1-9-7-16-8-10(9)5-14-6-11-3-2-4-12(13)15-11/h2-4,7-8,14H,5-6H2,1H3
InChIKeyGKYZKZVYPRJUIV-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698840
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648229
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-bromo-5-[[(4-methylthiophen-3-yl)methylamino]methyl]aniline
CID 107814521

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (CID 112582506) is 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is Cc1cscc1CNCc1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The InChIKey is GKYZKZVYPRJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-7-16-8-10(9)5-14-6-11-3-2-4-12(13)15-11/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is sourced from PubChem (CID 112582506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).