N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine

C9H10Cl3N3O — CID 102751710

IUPACN-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine
SMILESClc1cc(Cl)c(NN2CCOCC2)nc1Cl
InChIInChI=1S/C9H10Cl3N3O/c10-6-5-7(11)9(13-8(6)12)14-15-1-3-16-4-2-15/h5H,1-4H2,(H,13,14)
InChIKeyUWNUZFHRNIJKHN-UHFFFAOYSA-N
MW282.56 g/mol
LogP2.70
Rot. Bonds2

About N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine

N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine (PubChem CID 102751710) has the molecular formula C9H10Cl3N3O and a molecular weight of 282.56 g/mol. Its IUPAC name is N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine
PubChem CID102751710
Molecular FormulaC9H10Cl3N3O
Molecular Weight282.56 g/mol
Exact Mass280.99
IUPAC NameN-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine
SMILESClc1cc(Cl)c(NN2CCOCC2)nc1Cl
InChIInChI=1S/C9H10Cl3N3O/c10-6-5-7(11)9(13-8(6)12)14-15-1-3-16-4-2-15/h5H,1-4H2,(H,13,14)
InChIKeyUWNUZFHRNIJKHN-UHFFFAOYSA-N
XLogP2.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine?
The IUPAC name of N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine (CID 102751710) is N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine.
What is the SMILES notation for N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine?
The canonical SMILES for N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine is Clc1cc(Cl)c(NN2CCOCC2)nc1Cl.
What is the InChIKey of N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine?
The InChIKey is UWNUZFHRNIJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N3O/c10-6-5-7(11)9(13-8(6)12)14-15-1-3-16-4-2-15/h5H,1-4H2,(H,13,14).
What are the key properties of N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine?
N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine has a molecular weight of 282.56 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine is sourced from PubChem (CID 102751710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).