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

C11H8F3N3O2 — CID 80631790

IUPAC5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O2/c1-6-2-7(10(18)19)3-15-9(6)17-5-8(4-16-17)11(12,13)14/h2-5H,1H3,(H,18,19)
InChIKeyAQTQTVRIXDXCCB-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.29
Rot. Bonds2

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

5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 80631790) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID80631790
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O2/c1-6-2-7(10(18)19)3-15-9(6)17-5-8(4-16-17)11(12,13)14/h2-5H,1H3,(H,18,19)
InChIKeyAQTQTVRIXDXCCB-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 80631790) is 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is AQTQTVRIXDXCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-2-7(10(18)19)3-15-9(6)17-5-8(4-16-17)11(12,13)14/h2-5H,1H3,(H,18,19).
What are the key properties of 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 80631790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).