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

C13H11F2N5O — CID 139390808

IUPAC6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(F)F)nc1
InChIInChI=1S/C13H11F2N5O/c1-6-8(10(16)11-13(18-6)20-21-19-11)4-7-2-3-9(12(14)15)17-5-7/h2-3,5,12H,4,16H2,1H3
InChIKeyFXFAMOBSGJJZFJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.43
Rot. Bonds3

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

6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139390808) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139390808
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(F)F)nc1
InChIInChI=1S/C13H11F2N5O/c1-6-8(10(16)11-13(18-6)20-21-19-11)4-7-2-3-9(12(14)15)17-5-7/h2-3,5,12H,4,16H2,1H3
InChIKeyFXFAMOBSGJJZFJ-UHFFFAOYSA-N
XLogP2.43
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139390808) is 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(C(F)F)nc1.
What is the InChIKey of 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is FXFAMOBSGJJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-6-8(10(16)11-13(18-6)20-21-19-11)4-7-2-3-9(12(14)15)17-5-7/h2-3,5,12H,4,16H2,1H3.
What are the key properties of 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 291.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(difluoromethyl)-3-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139390808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).