(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine

C10H11Cl3N2 — CID 131486817

IUPAC(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2/c11-6-4-15-10(13)9(12)8(6)7(14)3-5-1-2-5/h4-5,7H,1-3,14H2/t7-/m0/s1
InChIKeyNQWZVRZDJWDMLN-ZETCQYMHSA-N
MW265.57 g/mol
LogP3.84
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine

(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine (PubChem CID 131486817) has the molecular formula C10H11Cl3N2 and a molecular weight of 265.57 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine
PubChem CID131486817
Molecular FormulaC10H11Cl3N2
Molecular Weight265.57 g/mol
Exact Mass264.00
IUPAC Name(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2/c11-6-4-15-10(13)9(12)8(6)7(14)3-5-1-2-5/h4-5,7H,1-3,14H2/t7-/m0/s1
InChIKeyNQWZVRZDJWDMLN-ZETCQYMHSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 53.84
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 (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine (CID 131486817) is (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine is N[C@@H](CC1CC1)c1c(Cl)cnc(Cl)c1Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine?
The InChIKey is NQWZVRZDJWDMLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11Cl3N2/c11-6-4-15-10(13)9(12)8(6)7(14)3-5-1-2-5/h4-5,7H,1-3,14H2/t7-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine?
(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine has a molecular weight of 265.57 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 131486817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).