3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine

C12H12BrN3 — CID 104811394

IUPAC3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3/c13-10-4-6-11(16-8-10)5-3-9-2-1-7-15-12(9)14/h1-2,4,6-8H,3,5H2,(H2,14,15)
InChIKeyLABVWWPPFXAXCS-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.61
Rot. Bonds3

About 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine

3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine (PubChem CID 104811394) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
PubChem CID104811394
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3/c13-10-4-6-11(16-8-10)5-3-9-2-1-7-15-12(9)14/h1-2,4,6-8H,3,5H2,(H2,14,15)
InChIKeyLABVWWPPFXAXCS-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-2-pyridinamine
CID 105097
Trovirdine
CID 3000870
Trovirdine hydrochloride
CID 5327620
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(5-bromopyridin-2-yl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
CID 3003667
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
4-Methyl-6-(2-(5-(1-Methylpiperidin-4-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057274
4-Methyl-6-(2-(5-(3-(Methylamino)propyl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119081688
6-(2-(5-(3-(Dimethylamino)propyl)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119081689
HI-240
CID 3001767
N-[2-(3-Fluorophenethyl)]-N'-[2-(5-bromopyridyl)]-thiourea
CID 3001770

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine (CID 104811394) is 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine is Nc1ncccc1CCc1ccc(Br)cn1.
What is the InChIKey of 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine?
The InChIKey is LABVWWPPFXAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-10-4-6-11(16-8-10)5-3-9-2-1-7-15-12(9)14/h1-2,4,6-8H,3,5H2,(H2,14,15).
What are the key properties of 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine?
3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 104811394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).