1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine

C13H14BrN3 — CID 113398487

IUPAC1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ncccc1Br
InChIInChI=1S/C13H14BrN3/c1-15-12(9-10-4-7-16-8-5-10)13-11(14)3-2-6-17-13/h2-8,12,15H,9H2,1H3
InChIKeyWGKGDWHUAIOJKN-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine

1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 113398487) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID113398487
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ncccc1Br
InChIInChI=1S/C13H14BrN3/c1-15-12(9-10-4-7-16-8-5-10)13-11(14)3-2-6-17-13/h2-8,12,15H,9H2,1H3
InChIKeyWGKGDWHUAIOJKN-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
[1-(3-methyl-2-pyridinyl)-2-pyridin-4-ylethyl]hydrazine
CID 105209330
[1-(3-bromo-2-pyridinyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105268027
1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 107982906
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine (CID 113398487) is 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is WGKGDWHUAIOJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-15-12(9-10-4-7-16-8-5-10)13-11(14)3-2-6-17-13/h2-8,12,15H,9H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 113398487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).