7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid

C16H9F2NO2 — CID 58553290

IUPAC7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(F)c(-c3ccncc3F)c2c1
InChIInChI=1S/C16H9F2NO2/c17-13-4-3-9-1-2-10(16(20)21)7-12(9)15(13)11-5-6-19-8-14(11)18/h1-8H,(H,20,21)
InChIKeyNEUSTNMRQMXSML-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.88
Rot. Bonds2

About 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid

7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid (PubChem CID 58553290) has the molecular formula C16H9F2NO2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid
PubChem CID58553290
Molecular FormulaC16H9F2NO2
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(F)c(-c3ccncc3F)c2c1
InChIInChI=1S/C16H9F2NO2/c17-13-4-3-9-1-2-10(16(20)21)7-12(9)15(13)11-5-6-19-8-14(11)18/h1-8H,(H,20,21)
InChIKeyNEUSTNMRQMXSML-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid?
The IUPAC name of 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid (CID 58553290) is 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccc(F)c(-c3ccncc3F)c2c1.
What is the InChIKey of 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid?
The InChIKey is NEUSTNMRQMXSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2/c17-13-4-3-9-1-2-10(16(20)21)7-12(9)15(13)11-5-6-19-8-14(11)18/h1-8H,(H,20,21).
What are the key properties of 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid?
7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(3-fluoro-4-pyridinyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).