4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline

C11H8ClFN2O — CID 79840437

IUPAC4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2ccncc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c12-8-6-15-4-3-10(8)16-11-2-1-7(14)5-9(11)13/h1-6H,14H2
InChIKeyLEDUNJIEVAXARC-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.25
Rot. Bonds2

About 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline

4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline (PubChem CID 79840437) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
PubChem CID79840437
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2ccncc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c12-8-6-15-4-3-10(8)16-11-2-1-7(14)5-9(11)13/h1-6H,14H2
InChIKeyLEDUNJIEVAXARC-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
CID 89231827
3-fluoro-4-[[3-(2-phenylethynyl)-4-pyridinyl]oxy]aniline
CID 59823022
4-(2,4-difluorophenoxy)pyridin-3-amine
CID 28890071
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
CID 79840737
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline (CID 79840437) is 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline is Nc1ccc(Oc2ccncc2Cl)c(F)c1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline?
The InChIKey is LEDUNJIEVAXARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-8-6-15-4-3-10(8)16-11-2-1-7(14)5-9(11)13/h1-6H,14H2.
What are the key properties of 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline?
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline has a molecular weight of 238.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline is sourced from PubChem (CID 79840437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).