4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid

C14H12FN3O3 — CID 175096326

IUPAC4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESNc1ccc(Oc2ccnc3c2CCN3C(=O)O)c(F)c1
InChIInChI=1S/C14H12FN3O3/c15-10-7-8(16)1-2-12(10)21-11-3-5-17-13-9(11)4-6-18(13)14(19)20/h1-3,5,7H,4,6,16H2,(H,19,20)
InChIKeyQRDDXEFXISGOFX-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid

4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid (PubChem CID 175096326) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid
PubChem CID175096326
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESNc1ccc(Oc2ccnc3c2CCN3C(=O)O)c(F)c1
InChIInChI=1S/C14H12FN3O3/c15-10-7-8(16)1-2-12(10)21-11-3-5-17-13-9(11)4-6-18(13)14(19)20/h1-3,5,7H,4,6,16H2,(H,19,20)
InChIKeyQRDDXEFXISGOFX-UHFFFAOYSA-N
XLogP2.64
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
CID 171509235
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
CID 89043701
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
CID 76850851
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 23153235
N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
CID 164738458
1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2,2-trichloroethanone
CID 21081505
tert-butyl 4-[4-(4-amino-2-fluorophenoxy)-2-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 89434330

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid (CID 175096326) is 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid is Nc1ccc(Oc2ccnc3c2CCN3C(=O)O)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid?
The InChIKey is QRDDXEFXISGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-10-7-8(16)1-2-12(10)21-11-3-5-17-13-9(11)4-6-18(13)14(19)20/h1-3,5,7H,4,6,16H2,(H,19,20).
What are the key properties of 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid?
4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 175096326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).