6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid

C14H10F3N5O3 — CID 156757389

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C14H10F3N5O3/c1-5-7(9(18)11-12(19-5)22-25-21-11)4-6-2-3-8(14(15,16)17)10(20-6)13(23)24/h2-3H,4,18H2,1H3,(H,23,24)
InChIKeyCJPQGUDQPAKGAA-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.21
Rot. Bonds3

About 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 156757389) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID156757389
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C14H10F3N5O3/c1-5-7(9(18)11-12(19-5)22-25-21-11)4-6-2-3-8(14(15,16)17)10(20-6)13(23)24/h2-3H,4,18H2,1H3,(H,23,24)
InChIKeyCJPQGUDQPAKGAA-UHFFFAOYSA-N
XLogP2.21
TPSA128.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 156757389) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1nc2nonc2c(N)c1Cc1ccc(C(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is CJPQGUDQPAKGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3/c1-5-7(9(18)11-12(19-5)22-25-21-11)4-6-2-3-8(14(15,16)17)10(20-6)13(23)24/h2-3H,4,18H2,1H3,(H,23,24).
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 353.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 156757389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).