(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine

C9H11Cl2N3 — CID 130693092

IUPAC(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C9H11Cl2N3/c10-8-3-7(4-13-9(8)11)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1
InChIKeyDCKRTBWQJQRMAG-LURJTMIESA-N
MW232.11 g/mol
LogP1.93
Rot. Bonds1

About (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine

(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine (PubChem CID 130693092) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
PubChem CID130693092
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C9H11Cl2N3/c10-8-3-7(4-13-9(8)11)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1
InChIKeyDCKRTBWQJQRMAG-LURJTMIESA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine (CID 130693092) is (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine is N[C@H]1CCN(c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine?
The InChIKey is DCKRTBWQJQRMAG-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-8-3-7(4-13-9(8)11)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1.
What are the key properties of (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine?
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine has a molecular weight of 232.11 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 130693092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).