6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine

C10H7Cl2N3O — CID 115474542

IUPAC6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1cncc(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-6-3-7(5-14-4-6)16-10-8(13)1-2-9(12)15-10/h1-5H,13H2
InChIKeyNFEPGIFCULHNOL-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.16
Rot. Bonds2

About 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine

6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 115474542) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
PubChem CID115474542
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1cncc(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-6-3-7(5-14-4-6)16-10-8(13)1-2-9(12)15-10/h1-5H,13H2
InChIKeyNFEPGIFCULHNOL-UHFFFAOYSA-N
XLogP3.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.16
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-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The IUPAC name of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine (CID 115474542) is 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine is Nc1ccc(Cl)nc1Oc1cncc(Cl)c1.
What is the InChIKey of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The InChIKey is NFEPGIFCULHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-3-7(5-14-4-6)16-10-8(13)1-2-9(12)15-10/h1-5H,13H2.
What are the key properties of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 256.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 115474542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).