5-fluoro-4-methyl-2-pyridin-3-yloxyaniline

C12H11FN2O — CID 103590987

IUPAC5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
SMILESCc1cc(Oc2cccnc2)c(N)cc1F
InChIInChI=1S/C12H11FN2O/c1-8-5-12(11(14)6-10(8)13)16-9-3-2-4-15-7-9/h2-7H,14H2,1H3
InChIKeyKUIPJPTVPRREQA-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.90
Rot. Bonds2

About 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline

5-fluoro-4-methyl-2-pyridin-3-yloxyaniline (PubChem CID 103590987) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
PubChem CID103590987
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
SMILESCc1cc(Oc2cccnc2)c(N)cc1F
InChIInChI=1S/C12H11FN2O/c1-8-5-12(11(14)6-10(8)13)16-9-3-2-4-15-7-9/h2-7H,14H2,1H3
InChIKeyKUIPJPTVPRREQA-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.90
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

4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
CID 107313172
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
CID 103591054
2-[4-(2-amino-4-fluoro-5-methylphenoxy)phenyl]acetonitrile
CID 103590907
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline?
The IUPAC name of 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline (CID 103590987) is 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline?
The canonical SMILES for 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline is Cc1cc(Oc2cccnc2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline?
The InChIKey is KUIPJPTVPRREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-5-12(11(14)6-10(8)13)16-9-3-2-4-15-7-9/h2-7H,14H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline?
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline has a molecular weight of 218.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-pyridin-3-yloxyaniline is sourced from PubChem (CID 103590987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).