8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid

C17H10F3NO2 — CID 58553201

IUPAC8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(C(F)(F)F)cn3)c2c1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)12-6-7-15(21-9-12)13-3-1-2-10-4-5-11(16(22)23)8-14(10)13/h1-9H,(H,22,23)
InChIKeyJPVKGRFBHJVKNA-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.62
Rot. Bonds2

About 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid

8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid (PubChem CID 58553201) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid
PubChem CID58553201
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(C(F)(F)F)cn3)c2c1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)12-6-7-15(21-9-12)13-3-1-2-10-4-5-11(16(22)23)8-14(10)13/h1-9H,(H,22,23)
InChIKeyJPVKGRFBHJVKNA-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid?
The IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid (CID 58553201) is 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3ccc(C(F)(F)F)cn3)c2c1.
What is the InChIKey of 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid?
The InChIKey is JPVKGRFBHJVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)12-6-7-15(21-9-12)13-3-1-2-10-4-5-11(16(22)23)8-14(10)13/h1-9H,(H,22,23).
What are the key properties of 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid?
8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid has a molecular weight of 317.27 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).