1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine

C9H14BrN3 — CID 70648411

IUPAC1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(CNC)n1
InChIInChI=1S/C9H14BrN3/c1-11-5-8-3-7(10)4-9(13-8)6-12-2/h3-4,11-12H,5-6H2,1-2H3
InChIKeySWEYDNDBSIIANK-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.28
Rot. Bonds4

About 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine

1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 70648411) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
PubChem CID70648411
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(CNC)n1
InChIInChI=1S/C9H14BrN3/c1-11-5-8-3-7(10)4-9(13-8)6-12-2/h3-4,11-12H,5-6H2,1-2H3
InChIKeySWEYDNDBSIIANK-UHFFFAOYSA-N
XLogP1.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine (CID 70648411) is 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cc(CNC)n1.
What is the InChIKey of 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is SWEYDNDBSIIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-11-5-8-3-7(10)4-9(13-8)6-12-2/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine?
1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 244.14 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 70648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).