2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid

C14H10F3NO3 — CID 67717800

IUPAC2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCOc1cccc(-c2ccc(C(F)(F)F)cn2)c1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-21-11-4-2-3-9(12(11)13(19)20)10-6-5-8(7-18-10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyIQSSEKUBBYSIML-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.47
Rot. Bonds3

About 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid

2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 67717800) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID67717800
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCOc1cccc(-c2ccc(C(F)(F)F)cn2)c1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-21-11-4-2-3-9(12(11)13(19)20)10-6-5-8(7-18-10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyIQSSEKUBBYSIML-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 67717800) is 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid is COc1cccc(-c2ccc(C(F)(F)F)cn2)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is IQSSEKUBBYSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-11-4-2-3-9(12(11)13(19)20)10-6-5-8(7-18-10)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 67717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).