5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine

C11H9F2N3O — CID 177245437

IUPAC5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nc(F)ccc2F)cc1N
InChIInChI=1S/C11H9F2N3O/c1-17-11-8(14)4-6(5-15-11)10-7(12)2-3-9(13)16-10/h2-5H,14H2,1H3
InChIKeyLUNSNEQXJFTQCK-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.01
Rot. Bonds2

About 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine

5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine (PubChem CID 177245437) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine
PubChem CID177245437
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nc(F)ccc2F)cc1N
InChIInChI=1S/C11H9F2N3O/c1-17-11-8(14)4-6(5-15-11)10-7(12)2-3-9(13)16-10/h2-5H,14H2,1H3
InChIKeyLUNSNEQXJFTQCK-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.01
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 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine (CID 177245437) is 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine is COc1ncc(-c2nc(F)ccc2F)cc1N.
What is the InChIKey of 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine?
The InChIKey is LUNSNEQXJFTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-17-11-8(14)4-6(5-15-11)10-7(12)2-3-9(13)16-10/h2-5H,14H2,1H3.
What are the key properties of 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine?
5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine has a molecular weight of 237.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 177245437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).