1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine

C8H11BrN2 — CID 84680762

IUPAC1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine
SMILESCNCc1c(C)cncc1Br
InChIInChI=1S/C8H11BrN2/c1-6-3-11-5-8(9)7(6)4-10-2/h3,5,10H,4H2,1-2H3
InChIKeyLFRMMJIADQDCLP-UHFFFAOYSA-N
MW215.09 g/mol
LogP1.87
Rot. Bonds2

About 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine

1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine (PubChem CID 84680762) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine
PubChem CID84680762
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine
SMILESCNCc1c(C)cncc1Br
InChIInChI=1S/C8H11BrN2/c1-6-3-11-5-8(9)7(6)4-10-2/h3,5,10H,4H2,1-2H3
InChIKeyLFRMMJIADQDCLP-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
CID 84692427
(3-bromo-5-methyl-4-pyridinyl)methanamine
CID 84669814
(E)-3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 131239019
3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474904
4-ethyl-N,5-dimethylpyridin-3-amine
CID 143123145
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
3-bromo-5-chloro-4-ethylpyridine
CID 148785357
N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
CID 15087754
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
3-bromo-2-(methylaminomethyl)phenol
CID 84734958
(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene
CID 91089495
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine (CID 84680762) is 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine is CNCc1c(C)cncc1Br.
What is the InChIKey of 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine?
The InChIKey is LFRMMJIADQDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6-3-11-5-8(9)7(6)4-10-2/h3,5,10H,4H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine?
1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine has a molecular weight of 215.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 84680762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).