5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid

C13H19FN2O3 — CID 114034416

IUPAC5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CCO)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H19FN2O3/c1-3-10(4-2)16(5-6-17)12-11(13(18)19)7-9(14)8-15-12/h7-8,10,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyRRFDYKDGYPQPTF-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.91
Rot. Bonds7

About 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid

5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114034416) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114034416
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CCO)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H19FN2O3/c1-3-10(4-2)16(5-6-17)12-11(13(18)19)7-9(14)8-15-12/h7-8,10,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyRRFDYKDGYPQPTF-UHFFFAOYSA-N
XLogP1.91
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 114034395
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
CID 62476555
2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034377
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[2-cyanoethyl(cyclopropyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034417
2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
CID 55251383
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid (CID 114034416) is 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid is CCC(CC)N(CCO)c1ncc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is RRFDYKDGYPQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-3-10(4-2)16(5-6-17)12-11(13(18)19)7-9(14)8-15-12/h7-8,10,17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 270.30 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).