3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C11H9F3N4O2 — CID 67383277

IUPAC3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C11H9F3N4O2/c1-18-4-5(3-16-18)8-6(11(12,13)14)2-7(15)9(17-8)10(19)20/h2-4H,15H2,1H3,(H,19,20)
InChIKeyYUJSWWZZAVCKDW-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.78
Rot. Bonds2

About 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 67383277) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID67383277
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C11H9F3N4O2/c1-18-4-5(3-16-18)8-6(11(12,13)14)2-7(15)9(17-8)10(19)20/h2-4H,15H2,1H3,(H,19,20)
InChIKeyYUJSWWZZAVCKDW-UHFFFAOYSA-N
XLogP1.78
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 67383277) is 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is Cn1cc(-c2nc(C(=O)O)c(N)cc2C(F)(F)F)cn1.
What is the InChIKey of 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is YUJSWWZZAVCKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-18-4-5(3-16-18)8-6(11(12,13)14)2-7(15)9(17-8)10(19)20/h2-4H,15H2,1H3,(H,19,20).
What are the key properties of 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 286.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67383277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).