4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline

C12H11FN2O2 — CID 55036542

IUPAC4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1Oc1ccc(F)cn1
InChIInChI=1S/C12H11FN2O2/c1-16-11-6-9(14)3-4-10(11)17-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3
InChIKeyLCBXBDXJMYSUTB-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.60
Rot. Bonds3

About 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline

4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline (PubChem CID 55036542) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
PubChem CID55036542
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1Oc1ccc(F)cn1
InChIInChI=1S/C12H11FN2O2/c1-16-11-6-9(14)3-4-10(11)17-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3
InChIKeyLCBXBDXJMYSUTB-UHFFFAOYSA-N
XLogP2.60
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 61389468
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline
CID 106504339
4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
6-(3-methoxy-2-methylphenoxy)pyridin-3-amine;hydrochloride
CID 70976157
3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62109783
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline (CID 55036542) is 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline is COc1cc(N)ccc1Oc1ccc(F)cn1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline?
The InChIKey is LCBXBDXJMYSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-16-11-6-9(14)3-4-10(11)17-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline?
4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline has a molecular weight of 234.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline is sourced from PubChem (CID 55036542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).