2-(2,6-dichloro-3-pyridinyl)propan-2-amine

C8H10Cl2N2 — CID 130297904

IUPAC2-(2,6-dichloro-3-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-8(2,11)5-3-4-6(9)12-7(5)10/h3-4H,11H2,1-2H3
InChIKeyFJXWQLYAGBNHRU-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.58
Rot. Bonds1

About 2-(2,6-dichloro-3-pyridinyl)propan-2-amine

2-(2,6-dichloro-3-pyridinyl)propan-2-amine (PubChem CID 130297904) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,6-dichloro-3-pyridinyl)propan-2-amine
PubChem CID130297904
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2-(2,6-dichloro-3-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-8(2,11)5-3-4-6(9)12-7(5)10/h3-4H,11H2,1-2H3
InChIKeyFJXWQLYAGBNHRU-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.58
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 2-(2,6-dichloro-3-pyridinyl)propan-2-amine?
The IUPAC name of 2-(2,6-dichloro-3-pyridinyl)propan-2-amine (CID 130297904) is 2-(2,6-dichloro-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 2-(2,6-dichloro-3-pyridinyl)propan-2-amine?
The canonical SMILES for 2-(2,6-dichloro-3-pyridinyl)propan-2-amine is CC(C)(N)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-pyridinyl)propan-2-amine?
The InChIKey is FJXWQLYAGBNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-8(2,11)5-3-4-6(9)12-7(5)10/h3-4H,11H2,1-2H3.
What are the key properties of 2-(2,6-dichloro-3-pyridinyl)propan-2-amine?
2-(2,6-dichloro-3-pyridinyl)propan-2-amine has a molecular weight of 205.09 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 130297904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).