N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine

C9H13BrN2O — CID 163278698

IUPACN-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnc(OC)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-3-11-5-7-4-8(10)9(13-2)12-6-7/h4,6,11H,3,5H2,1-2H3
InChIKeyHAKKTCWBEXSTOT-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.96
Rot. Bonds4

About N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine

N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 163278698) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID163278698
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC NameN-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnc(OC)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-3-11-5-7-4-8(10)9(13-2)12-6-7/h4,6,11H,3,5H2,1-2H3
InChIKeyHAKKTCWBEXSTOT-UHFFFAOYSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine
CID 175752835
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]ethanamine
CID 107742112
3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite
CID 161489355
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine (CID 163278698) is N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine is CCNCc1cnc(OC)c(Br)c1.
What is the InChIKey of N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is HAKKTCWBEXSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-3-11-5-7-4-8(10)9(13-2)12-6-7/h4,6,11H,3,5H2,1-2H3.
What are the key properties of N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 245.12 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 163278698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).