3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine

C10H12Cl2N2 — CID 130045839

IUPAC3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine
SMILESNC1CCC(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2/c11-9-4-7(5-10(12)14-9)6-1-2-8(13)3-6/h4-6,8H,1-3,13H2
InChIKeyHACLJMDLKHNCDP-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.98
Rot. Bonds1

About 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine

3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine (PubChem CID 130045839) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine
PubChem CID130045839
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine
SMILESNC1CCC(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2/c11-9-4-7(5-10(12)14-9)6-1-2-8(13)3-6/h4-6,8H,1-3,13H2
InChIKeyHACLJMDLKHNCDP-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine (CID 130045839) is 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine is NC1CCC(c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine?
The InChIKey is HACLJMDLKHNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-4-7(5-10(12)14-9)6-1-2-8(13)3-6/h4-6,8H,1-3,13H2.
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine?
3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine has a molecular weight of 231.13 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine is sourced from PubChem (CID 130045839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).