8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid

C16H10FNO2 — CID 58553364

IUPAC8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(F)nc3)c2c1
InChIInChI=1S/C16H10FNO2/c17-15-7-6-12(9-18-15)13-3-1-2-10-4-5-11(16(19)20)8-14(10)13/h1-9H,(H,19,20)
InChIKeyPVNQOHFGCRUNQC-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.74
Rot. Bonds2

About 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid

8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid (PubChem CID 58553364) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid
PubChem CID58553364
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(F)nc3)c2c1
InChIInChI=1S/C16H10FNO2/c17-15-7-6-12(9-18-15)13-3-1-2-10-4-5-11(16(19)20)8-14(10)13/h1-9H,(H,19,20)
InChIKeyPVNQOHFGCRUNQC-UHFFFAOYSA-N
XLogP3.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid (CID 58553364) is 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3ccc(F)nc3)c2c1.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid?
The InChIKey is PVNQOHFGCRUNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-15-7-6-12(9-18-15)13-3-1-2-10-4-5-11(16(19)20)8-14(10)13/h1-9H,(H,19,20).
What are the key properties of 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid?
8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).