5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

C13H11FN2O3 — CID 91664501

IUPAC5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESCc1ccc(COc2ncc(F)cc2C(=O)O)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-2-3-9(5-15-8)7-19-12-11(13(17)18)4-10(14)6-16-12/h2-6H,7H2,1H3,(H,17,18)
InChIKeyNGBICXJRHJMDSO-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.20
Rot. Bonds4

About 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 91664501) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
PubChem CID91664501
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESCc1ccc(COc2ncc(F)cc2C(=O)O)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-2-3-9(5-15-8)7-19-12-11(13(17)18)4-10(14)6-16-12/h2-6H,7H2,1H3,(H,17,18)
InChIKeyNGBICXJRHJMDSO-UHFFFAOYSA-N
XLogP2.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (CID 91664501) is 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is Cc1ccc(COc2ncc(F)cc2C(=O)O)cn1.
What is the InChIKey of 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is NGBICXJRHJMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-2-3-9(5-15-8)7-19-12-11(13(17)18)4-10(14)6-16-12/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 91664501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).