6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine

C11H17ClN2O — CID 99838879

IUPAC6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
SMILESCCOC[C@H](C)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O/c1-4-15-7-8(2)13-10-5-6-11(12)14-9(10)3/h5-6,8,13H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyKXCUDYFYIHXIGK-QMMMGPOBSA-N
MW228.72 g/mol
LogP2.88
Rot. Bonds5

About 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine

6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine (PubChem CID 99838879) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
PubChem CID99838879
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
SMILESCCOC[C@H](C)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O/c1-4-15-7-8(2)13-10-5-6-11(12)14-9(10)3/h5-6,8,13H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyKXCUDYFYIHXIGK-QMMMGPOBSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.88
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 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine (CID 99838879) is 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine is CCOC[C@H](C)Nc1ccc(Cl)nc1C.
What is the InChIKey of 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine?
The InChIKey is KXCUDYFYIHXIGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-15-7-8(2)13-10-5-6-11(12)14-9(10)3/h5-6,8,13H,4,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine?
6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine has a molecular weight of 228.72 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 99838879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).