3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

C11H13FN2O4 — CID 118981587

IUPAC3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-6-4-7(12)8(9(15)16)13-5-6/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKeyPFBQAVUVHCUAQR-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.27
Rot. Bonds2

About 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (PubChem CID 118981587) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
PubChem CID118981587
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-6-4-7(12)8(9(15)16)13-5-6/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKeyPFBQAVUVHCUAQR-UHFFFAOYSA-N
XLogP2.27
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (CID 118981587) is 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1cnc(C(=O)O)c(F)c1.
What is the InChIKey of 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The InChIKey is PFBQAVUVHCUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-6-4-7(12)8(9(15)16)13-5-6/h4-5H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 118981587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).