2-(6-chloro-3-pyridinyl)propan-2-amine

C8H11ClN2 — CID 57370214

IUPAC2-(6-chloro-3-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3
InChIKeyLEUKIRSZLUMFGP-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.93
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)propan-2-amine

2-(6-chloro-3-pyridinyl)propan-2-amine (PubChem CID 57370214) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)propan-2-amine
PubChem CID57370214
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-(6-chloro-3-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3
InChIKeyLEUKIRSZLUMFGP-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.93
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-(6-chloro-3-pyridinyl)propan-2-amine?
The IUPAC name of 2-(6-chloro-3-pyridinyl)propan-2-amine (CID 57370214) is 2-(6-chloro-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)propan-2-amine?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)propan-2-amine is CC(C)(N)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)propan-2-amine?
The InChIKey is LEUKIRSZLUMFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)propan-2-amine?
2-(6-chloro-3-pyridinyl)propan-2-amine has a molecular weight of 170.64 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 57370214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).