5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid

C17H17FN2O3 — CID 66651555

IUPAC5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)nc(-c3ccccc3)c2F)C1
InChIInChI=1S/C17H17FN2O3/c1-23-12-7-8-20(10-12)14-9-13(17(21)22)19-16(15(14)18)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,21,22)
InChIKeyFJPPCBSIEJTZDS-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.81
Rot. Bonds4

About 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid

5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid (PubChem CID 66651555) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid
PubChem CID66651555
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)nc(-c3ccccc3)c2F)C1
InChIInChI=1S/C17H17FN2O3/c1-23-12-7-8-20(10-12)14-9-13(17(21)22)19-16(15(14)18)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,21,22)
InChIKeyFJPPCBSIEJTZDS-UHFFFAOYSA-N
XLogP2.81
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid (CID 66651555) is 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid is COC1CCN(c2cc(C(=O)O)nc(-c3ccccc3)c2F)C1.
What is the InChIKey of 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid?
The InChIKey is FJPPCBSIEJTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-12-7-8-20(10-12)14-9-13(17(21)22)19-16(15(14)18)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,21,22).
What are the key properties of 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid?
5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid has a molecular weight of 316.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-methoxypyrrolidin-1-yl)-6-phenylpyridine-2-carboxylic acid is sourced from PubChem (CID 66651555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).