2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C11H9F3N4O3 — CID 106409489

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)no1
InChIInChI=1S/C11H9F3N4O3/c1-5-16-8(18-21-5)4-15-9-6(10(19)20)2-3-7(17-9)11(12,13)14/h2-3H,4H2,1H3,(H,15,17)(H,19,20)
InChIKeyFUCJQWTVFYSIDS-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.10
Rot. Bonds4

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 106409489) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID106409489
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)no1
InChIInChI=1S/C11H9F3N4O3/c1-5-16-8(18-21-5)4-15-9-6(10(19)20)2-3-7(17-9)11(12,13)14/h2-3H,4H2,1H3,(H,15,17)(H,19,20)
InChIKeyFUCJQWTVFYSIDS-UHFFFAOYSA-N
XLogP2.10
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 106409510
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876215
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875484
3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106400559
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 106400564
2-(3-methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877167
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 106409489) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is FUCJQWTVFYSIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-5-16-8(18-21-5)4-15-9-6(10(19)20)2-3-7(17-9)11(12,13)14/h2-3H,4H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 302.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106409489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).