5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine

C12H12BrN3 — CID 43523794

IUPAC5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1ccc(Br)cn1)c1cccnc1
InChIInChI=1S/C12H12BrN3/c1-9(10-3-2-6-14-7-10)16-12-5-4-11(13)8-15-12/h2-9H,1H3,(H,15,16)
InChIKeyGWDIQYVRERBOAB-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine

5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine (PubChem CID 43523794) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
PubChem CID43523794
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1ccc(Br)cn1)c1cccnc1
InChIInChI=1S/C12H12BrN3/c1-9(10-3-2-6-14-7-10)16-12-5-4-11(13)8-15-12/h2-9H,1H3,(H,15,16)
InChIKeyGWDIQYVRERBOAB-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine (CID 43523794) is 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine is CC(Nc1ccc(Br)cn1)c1cccnc1.
What is the InChIKey of 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The InChIKey is GWDIQYVRERBOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9(10-3-2-6-14-7-10)16-12-5-4-11(13)8-15-12/h2-9H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 43523794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).