6-chloro-2-morpholin-4-ylpyridin-3-amine

C9H12ClN3O — CID 79020142

IUPAC6-chloro-2-morpholin-4-ylpyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C9H12ClN3O/c10-8-2-1-7(11)9(12-8)13-3-5-14-6-4-13/h1-2H,3-6,11H2
InChIKeyOGOKAHFMZHQPSZ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.15
Rot. Bonds1

About 6-chloro-2-morpholin-4-ylpyridin-3-amine

6-chloro-2-morpholin-4-ylpyridin-3-amine (PubChem CID 79020142) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-2-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-morpholin-4-ylpyridin-3-amine
PubChem CID79020142
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name6-chloro-2-morpholin-4-ylpyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C9H12ClN3O/c10-8-2-1-7(11)9(12-8)13-3-5-14-6-4-13/h1-2H,3-6,11H2
InChIKeyOGOKAHFMZHQPSZ-UHFFFAOYSA-N
XLogP1.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.15
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 6-chloro-2-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 6-chloro-2-morpholin-4-ylpyridin-3-amine (CID 79020142) is 6-chloro-2-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 6-chloro-2-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 6-chloro-2-morpholin-4-ylpyridin-3-amine is Nc1ccc(Cl)nc1N1CCOCC1.
What is the InChIKey of 6-chloro-2-morpholin-4-ylpyridin-3-amine?
The InChIKey is OGOKAHFMZHQPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-2-1-7(11)9(12-8)13-3-5-14-6-4-13/h1-2H,3-6,11H2.
What are the key properties of 6-chloro-2-morpholin-4-ylpyridin-3-amine?
6-chloro-2-morpholin-4-ylpyridin-3-amine has a molecular weight of 213.67 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 79020142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).