2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine

C9H10BrN3 — CID 177027260

IUPAC2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(c2cncc(Br)c2)CC1
InChIInChI=1S/C9H10BrN3/c10-7-3-6(4-12-5-7)8-1-2-9(11)13-8/h3-5,8H,1-2H2,(H2,11,13)
InChIKeyJXQIOXCFSPFSFD-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.04
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine

2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 177027260) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID177027260
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(c2cncc(Br)c2)CC1
InChIInChI=1S/C9H10BrN3/c10-7-3-6(4-12-5-7)8-1-2-9(11)13-8/h3-5,8H,1-2H2,(H2,11,13)
InChIKeyJXQIOXCFSPFSFD-UHFFFAOYSA-N
XLogP2.04
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.04
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-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 177027260) is 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=NC(c2cncc(Br)c2)CC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JXQIOXCFSPFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c10-7-3-6(4-12-5-7)8-1-2-9(11)13-8/h3-5,8H,1-2H2,(H2,11,13).
What are the key properties of 2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine?
2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 240.10 g/mol, XLogP of 2.04, 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-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 177027260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).