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

C13H14BrN3 — CID 113447017

IUPAC1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1ncccc1Br
InChIInChI=1S/C13H14BrN3/c1-15-12(8-10-4-2-6-16-9-10)13-11(14)5-3-7-17-13/h2-7,9,12,15H,8H2,1H3
InChIKeyHHMKXQXDBCQZFF-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.74
Rot. Bonds4

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

1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 113447017) 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-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID113447017
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1ncccc1Br
InChIInChI=1S/C13H14BrN3/c1-15-12(8-10-4-2-6-16-9-10)13-11(14)5-3-7-17-13/h2-7,9,12,15H,8H2,1H3
InChIKeyHHMKXQXDBCQZFF-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-4-ylethanamine
CID 113398487
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine (CID 113447017) is 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is HHMKXQXDBCQZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-15-12(8-10-4-2-6-16-9-10)13-11(14)5-3-7-17-13/h2-7,9,12,15H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine?
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-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-3-ylethanamine is sourced from PubChem (CID 113447017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).