2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine

C10H12BrN3 — CID 164656444

IUPAC2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine
SMILESNc1cccnc1N1CCC=C(Br)C1
InChIInChI=1S/C10H12BrN3/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,3-5H,2,6-7,12H2
InChIKeyFOPSJPWAFWKZKF-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.15
Rot. Bonds1

About 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine

2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine (PubChem CID 164656444) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine
PubChem CID164656444
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine
SMILESNc1cccnc1N1CCC=C(Br)C1
InChIInChI=1S/C10H12BrN3/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,3-5H,2,6-7,12H2
InChIKeyFOPSJPWAFWKZKF-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine?
The IUPAC name of 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine (CID 164656444) is 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine is Nc1cccnc1N1CCC=C(Br)C1.
What is the InChIKey of 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine?
The InChIKey is FOPSJPWAFWKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,3-5H,2,6-7,12H2.
What are the key properties of 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine?
2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine has a molecular weight of 254.13 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridin-3-amine is sourced from PubChem (CID 164656444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).