3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline

C17H12F2N2O — CID 123278979

IUPAC3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline
SMILESNc1ccc(-c2ccc(F)nc2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C17H12F2N2O/c18-12-2-1-3-14(8-12)22-16-9-13(20)5-6-15(16)11-4-7-17(19)21-10-11/h1-10H,20H2
InChIKeyRXOLJNUAHFHPPJ-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.40
Rot. Bonds3

About 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline

3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline (PubChem CID 123278979) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline
PubChem CID123278979
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline
SMILESNc1ccc(-c2ccc(F)nc2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C17H12F2N2O/c18-12-2-1-3-14(8-12)22-16-9-13(20)5-6-15(16)11-4-7-17(19)21-10-11/h1-10H,20H2
InChIKeyRXOLJNUAHFHPPJ-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-3-(3-fluorophenoxy)aniline
CID 123431016
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
3-[2,5-bis(4-aminophenyl)phenoxy]aniline
CID 161035484
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
3-[5-amino-2-(3,5-difluorophenyl)phenoxy]benzonitrile
CID 123333877
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
CID 175815452
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
3-(2,4-difluorophenoxy)aniline
CID 71424948
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline?
The IUPAC name of 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline (CID 123278979) is 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline.
What is the SMILES notation for 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline?
The canonical SMILES for 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline is Nc1ccc(-c2ccc(F)nc2)c(Oc2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline?
The InChIKey is RXOLJNUAHFHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-12-2-1-3-14(8-12)22-16-9-13(20)5-6-15(16)11-4-7-17(19)21-10-11/h1-10H,20H2.
What are the key properties of 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline?
3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline has a molecular weight of 298.29 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-4-(6-fluoro-3-pyridinyl)aniline is sourced from PubChem (CID 123278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).