2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid

C12H10F3N3O3 — CID 146141012

IUPAC2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid
SMILESCOc1nc(C)c(-c2cnn(C(F)(F)F)c2)cc1C(=O)O
InChIInChI=1S/C12H10F3N3O3/c1-6-8(3-9(11(19)20)10(17-6)21-2)7-4-16-18(5-7)12(13,14)15/h3-5H,1-2H3,(H,19,20)
InChIKeyQBCHFPMTWIQNDG-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.44
Rot. Bonds3

About 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid

2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid (PubChem CID 146141012) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid
PubChem CID146141012
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid
SMILESCOc1nc(C)c(-c2cnn(C(F)(F)F)c2)cc1C(=O)O
InChIInChI=1S/C12H10F3N3O3/c1-6-8(3-9(11(19)20)10(17-6)21-2)7-4-16-18(5-7)12(13,14)15/h3-5H,1-2H3,(H,19,20)
InChIKeyQBCHFPMTWIQNDG-UHFFFAOYSA-N
XLogP2.44
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid (CID 146141012) is 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid is COc1nc(C)c(-c2cnn(C(F)(F)F)c2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The InChIKey is QBCHFPMTWIQNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-6-8(3-9(11(19)20)10(17-6)21-2)7-4-16-18(5-7)12(13,14)15/h3-5H,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid has a molecular weight of 301.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146141012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).