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

C12H10FN5O — CID 134229571

IUPAC6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(F)n1
InChIInChI=1S/C12H10FN5O/c1-6-8(5-7-3-2-4-9(13)16-7)10(14)11-12(15-6)18-19-17-11/h2-4H,5,14H2,1H3
InChIKeyPFRDUXGQIVEUGG-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.63
Rot. Bonds2

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

6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229571) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229571
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(F)n1
InChIInChI=1S/C12H10FN5O/c1-6-8(5-7-3-2-4-9(13)16-7)10(14)11-12(15-6)18-19-17-11/h2-4H,5,14H2,1H3
InChIKeyPFRDUXGQIVEUGG-UHFFFAOYSA-N
XLogP1.63
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229571) is 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1cccc(F)n1.
What is the InChIKey of 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is PFRDUXGQIVEUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-6-8(5-7-3-2-4-9(13)16-7)10(14)11-12(15-6)18-19-17-11/h2-4H,5,14H2,1H3.
What are the key properties of 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 259.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).