3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid

C11H13FN2O3 — CID 105382560

IUPAC3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC1OCCC1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H13FN2O3/c1-6-8(3-5-17-6)14-10-9(12)7(11(15)16)2-4-13-10/h2,4,6,8H,3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyNBHNOUOEDZHJMC-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.51
Rot. Bonds3

About 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 105382560) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID105382560
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC1OCCC1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H13FN2O3/c1-6-8(3-5-17-6)14-10-9(12)7(11(15)16)2-4-13-10/h2,4,6,8H,3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyNBHNOUOEDZHJMC-UHFFFAOYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82729049
2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382661
3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 105387115
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382170
4-[(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82737217
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
CID 82729142
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834
2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid
CID 82736541
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 82737354

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid (CID 105382560) is 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid is CC1OCCC1Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is NBHNOUOEDZHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6-8(3-5-17-6)14-10-9(12)7(11(15)16)2-4-13-10/h2,4,6,8H,3,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).