3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid

C11H10FN3O3 — CID 105382179

IUPAC3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1cc(CNc2nccc(C(=O)O)c2F)on1
InChIInChI=1S/C11H10FN3O3/c1-6-4-7(18-15-6)5-14-10-9(12)8(11(16)17)2-3-13-10/h2-4H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyUZGDBBOEYJGHMZ-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid

3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 105382179) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID105382179
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1cc(CNc2nccc(C(=O)O)c2F)on1
InChIInChI=1S/C11H10FN3O3/c1-6-4-7(18-15-6)5-14-10-9(12)8(11(16)17)2-3-13-10/h2-4H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyUZGDBBOEYJGHMZ-UHFFFAOYSA-N
XLogP1.83
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid (CID 105382179) is 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid is Cc1cc(CNc2nccc(C(=O)O)c2F)on1.
What is the InChIKey of 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is UZGDBBOEYJGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-6-4-7(18-15-6)5-14-10-9(12)8(11(16)17)2-3-13-10/h2-4H,5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid?
3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 251.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).