5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride

C9H13BrClN3 — CID 71636366

IUPAC5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
SMILESBrc1ccc(N[C@@H]2CCNC2)nc1.Cl
InChIInChI=1S/C9H12BrN3.ClH/c10-7-1-2-9(12-5-7)13-8-3-4-11-6-8;/h1-2,5,8,11H,3-4,6H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyUBZOKBMIOHMYRX-DDWIOCJRSA-N
MW278.58 g/mol
LogP2.04
Rot. Bonds2

About 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride

5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride (PubChem CID 71636366) has the molecular formula C9H13BrClN3 and a molecular weight of 278.58 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
PubChem CID71636366
Molecular FormulaC9H13BrClN3
Molecular Weight278.58 g/mol
Exact Mass277.00
IUPAC Name5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
SMILESBrc1ccc(N[C@@H]2CCNC2)nc1.Cl
InChIInChI=1S/C9H12BrN3.ClH/c10-7-1-2-9(12-5-7)13-8-3-4-11-6-8;/h1-2,5,8,11H,3-4,6H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyUBZOKBMIOHMYRX-DDWIOCJRSA-N
XLogP2.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride (CID 71636366) is 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride is Brc1ccc(N[C@@H]2CCNC2)nc1.Cl.
What is the InChIKey of 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The InChIKey is UBZOKBMIOHMYRX-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12BrN3.ClH/c10-7-1-2-9(12-5-7)13-8-3-4-11-6-8;/h1-2,5,8,11H,3-4,6H2,(H,12,13);1H/t8-;/m1./s1.
What are the key properties of 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71636366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).