YKAGQIQSPJSGNH-UHFFFAOYSA-N

Name: YKAGQIQSPJSGNH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₈F₃NO₃ — CID 154447093

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid

SMILESO=C(O)c1nccc(C(F)(F)F)c1Oc1ccccc1

InChIInChI=1S/C13H8F3NO3/c14-13(15,16)9-6-7-17-10(12(18)19)11(9)20-8-4-2-1-3-5-8/h1-7H,(H,18,19)

InChIKeyYKAGQIQSPJSGNH-UHFFFAOYSA-N

MW283.20 g/mol

LogP3.59

Rot. Bonds3

About YKAGQIQSPJSGNH-UHFFFAOYSA-N

YKAGQIQSPJSGNH-UHFFFAOYSA-N (PubChem CID 154447093) has the molecular formula C₁₃H₈F₃NO₃ and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name	YKAGQIQSPJSGNH-UHFFFAOYSA-N
PubChem CID	154447093
Molecular Formula	C₁₃H₈F₃NO₃
Molecular Weight	283.20 g/mol
Exact Mass	283.05
IUPAC Name	3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILES	O=C(O)c1nccc(C(F)(F)F)c1Oc1ccccc1
InChI	InChI=1S/C13H8F3NO3/c14-13(15,16)9-6-7-17-10(12(18)19)11(9)20-8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKey	YKAGQIQSPJSGNH-UHFFFAOYSA-N
XLogP	3.59
TPSA	59.42 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.20
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of YKAGQIQSPJSGNH-UHFFFAOYSA-N?

The IUPAC name of YKAGQIQSPJSGNH-UHFFFAOYSA-N (CID 154447093) is 3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid.

What is the SMILES notation for YKAGQIQSPJSGNH-UHFFFAOYSA-N?

The canonical SMILES for YKAGQIQSPJSGNH-UHFFFAOYSA-N is O=C(O)c1nccc(C(F)(F)F)c1Oc1ccccc1.

What is the InChIKey of YKAGQIQSPJSGNH-UHFFFAOYSA-N?

The InChIKey is YKAGQIQSPJSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)9-6-7-17-10(12(18)19)11(9)20-8-4-2-1-3-5-8/h1-7H,(H,18,19).

What are the key properties of YKAGQIQSPJSGNH-UHFFFAOYSA-N?

YKAGQIQSPJSGNH-UHFFFAOYSA-N has a molecular weight of 283.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for YKAGQIQSPJSGNH-UHFFFAOYSA-N is sourced from PubChem (CID 154447093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154447093 — identifiers, structure, computed properties (public domain)

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