1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine

C12H12BrN3 — CID 172724362

IUPAC1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncccc1-c1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3
InChIKeyGYEGBFYOXXXJBV-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.93
Rot. Bonds2

About 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine

1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine (PubChem CID 172724362) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine
PubChem CID172724362
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncccc1-c1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3
InChIKeyGYEGBFYOXXXJBV-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine
CID 172844514
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172812395
2-(5-bromo-2-pyridinyl)aniline
CID 130114483
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
CID 138455289
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 113398731

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine (CID 172724362) is 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine is CC(N)c1ncccc1-c1ccc(Br)cn1.
What is the InChIKey of 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine?
The InChIKey is GYEGBFYOXXXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3.
What are the key properties of 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine?
1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 172724362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).