6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid

C16H11FN2O3 — CID 91777968

IUPAC6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1cc(F)cc2cccnc12
InChIInChI=1S/C16H11FN2O3/c1-22-13-5-4-12(16(20)21)19-15(13)11-8-10(17)7-9-3-2-6-18-14(9)11/h2-8H,1H3,(H,20,21)
InChIKeyPGRWBXGZPZGMMM-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.14
Rot. Bonds3

About 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid

6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid (PubChem CID 91777968) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid
PubChem CID91777968
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1cc(F)cc2cccnc12
InChIInChI=1S/C16H11FN2O3/c1-22-13-5-4-12(16(20)21)19-15(13)11-8-10(17)7-9-3-2-6-18-14(9)11/h2-8H,1H3,(H,20,21)
InChIKeyPGRWBXGZPZGMMM-UHFFFAOYSA-N
XLogP3.14
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid (CID 91777968) is 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1-c1cc(F)cc2cccnc12.
What is the InChIKey of 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid?
The InChIKey is PGRWBXGZPZGMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-22-13-5-4-12(16(20)21)19-15(13)11-8-10(17)7-9-3-2-6-18-14(9)11/h2-8H,1H3,(H,20,21).
What are the key properties of 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid?
6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroquinolin-8-yl)-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 91777968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).