5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

C17H12F3N3O3 — CID 170701180

IUPAC5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H12F3N3O3/c1-23-7-6-14(22-23)13-8-10(16(24)25)9-21-15(13)26-12-4-2-11(3-5-12)17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyOUUKNQGFIGVASV-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.99
Rot. Bonds4

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

5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 170701180) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID170701180
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H12F3N3O3/c1-23-7-6-14(22-23)13-8-10(16(24)25)9-21-15(13)26-12-4-2-11(3-5-12)17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyOUUKNQGFIGVASV-UHFFFAOYSA-N
XLogP3.99
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (CID 170701180) is 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is Cn1ccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is OUUKNQGFIGVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-23-7-6-14(22-23)13-8-10(16(24)25)9-21-15(13)26-12-4-2-11(3-5-12)17(18,19)20/h2-9H,1H3,(H,24,25).
What are the key properties of 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 170701180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).