6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid

C11H13F2N3O3 — CID 118868326

IUPAC6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1OCC1CNCC1(F)F
InChIInChI=1S/C11H13F2N3O3/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18)
InChIKeyKZACLWDZLBZZJB-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.60
Rot. Bonds4

About 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid

6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 118868326) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID118868326
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1OCC1CNCC1(F)F
InChIInChI=1S/C11H13F2N3O3/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18)
InChIKeyKZACLWDZLBZZJB-UHFFFAOYSA-N
XLogP0.60
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid (CID 118868326) is 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid is Nc1ncc(C(=O)O)cc1OCC1CNCC1(F)F.
What is the InChIKey of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is KZACLWDZLBZZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18).
What are the key properties of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid?
6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 118868326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).