6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C12H9BrFN5O — CID 134229438

IUPAC6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(Br)c(F)n1
InChIInChI=1S/C12H9BrFN5O/c1-5-7(4-6-2-3-8(13)11(14)17-6)9(15)10-12(16-5)19-20-18-10/h2-3H,4,15H2,1H3
InChIKeyIVILJBADEPPGKZ-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.40
Rot. Bonds2

About 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229438) has the molecular formula C12H9BrFN5O and a molecular weight of 338.14 g/mol. Its IUPAC name is 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229438
Molecular FormulaC12H9BrFN5O
Molecular Weight338.14 g/mol
Exact Mass337.00
IUPAC Name6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(Br)c(F)n1
InChIInChI=1S/C12H9BrFN5O/c1-5-7(4-6-2-3-8(13)11(14)17-6)9(15)10-12(16-5)19-20-18-10/h2-3H,4,15H2,1H3
InChIKeyIVILJBADEPPGKZ-UHFFFAOYSA-N
XLogP2.40
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine with MolForge

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Related Compounds

US10308667, Example 153
CID 134229417
US10308667, Example 134
CID 134229419
US10308667, Example 133
CID 134229434
US10308667, Example 142
CID 134229443
US10308667, Example 83
CID 134229464
US10308667, Example 144
CID 134229473
US10308667, Example 84
CID 134229485
US10308667, Example 145
CID 134229489
US10308667, Example 129
CID 134229498
US10308667, Example 32
CID 134229500
US10308667, Example 154
CID 134229525
US10308667, Example 143
CID 134229536

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229438) is 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(F)n1.
What is the InChIKey of 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is IVILJBADEPPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5O/c1-5-7(4-6-2-3-8(13)11(14)17-6)9(15)10-12(16-5)19-20-18-10/h2-3H,4,15H2,1H3.
What are the key properties of 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 338.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).