5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid

C12H17FN2O3 — CID 114034507

IUPAC5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)OCCN(C)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C12H17FN2O3/c1-8(2)18-5-4-15(3)11-10(12(16)17)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyWHGYTPMGHUFNKL-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.78
Rot. Bonds6

About 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid

5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid (PubChem CID 114034507) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
PubChem CID114034507
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)OCCN(C)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C12H17FN2O3/c1-8(2)18-5-4-15(3)11-10(12(16)17)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyWHGYTPMGHUFNKL-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid (CID 114034507) is 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid is CC(C)OCCN(C)c1ncc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WHGYTPMGHUFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-8(2)18-5-4-15(3)11-10(12(16)17)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).