3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

C11H15FN2O3 — CID 105382642

IUPAC3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCOC(C)(C)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,17-3)6-14-9-8(12)7(10(15)16)4-5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyDXGAKPBNZADJAC-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.76
Rot. Bonds5

About 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 105382642) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID105382642
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCOC(C)(C)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,17-3)6-14-9-8(12)7(10(15)16)4-5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyDXGAKPBNZADJAC-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
CID 105382627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (CID 105382642) is 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is COC(C)(C)CNc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is DXGAKPBNZADJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,17-3)6-14-9-8(12)7(10(15)16)4-5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 242.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).