6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine

C12H13BrN2S — CID 104600033

IUPAC6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2ccc(Br)nc2C)s1
InChIInChI=1S/C12H13BrN2S/c1-8-3-4-10(16-8)7-14-11-5-6-12(13)15-9(11)2/h3-6,14H,7H2,1-2H3
InChIKeyRLBCAEYBPFLWHG-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.13
Rot. Bonds3

About 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine

6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 104600033) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
PubChem CID104600033
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2ccc(Br)nc2C)s1
InChIInChI=1S/C12H13BrN2S/c1-8-3-4-10(16-8)7-14-11-5-6-12(13)15-9(11)2/h3-6,14H,7H2,1-2H3
InChIKeyRLBCAEYBPFLWHG-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.13
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

2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
4-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399143
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104776991
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
CID 104600047
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104599923

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine (CID 104600033) is 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine is Cc1ccc(CNc2ccc(Br)nc2C)s1.
What is the InChIKey of 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is RLBCAEYBPFLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-3-4-10(16-8)7-14-11-5-6-12(13)15-9(11)2/h3-6,14H,7H2,1-2H3.
What are the key properties of 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 297.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104600033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).