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

C12H11FN2O — CID 114417665

IUPAC5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
SMILESCc1cc(Oc2ccncc2)c(F)cc1N
InChIInChI=1S/C12H11FN2O/c1-8-6-12(10(13)7-11(8)14)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3
InChIKeyCXTVHZJGEQTPNM-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.90
Rot. Bonds2

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

5-fluoro-2-methyl-4-pyridin-4-yloxyaniline (PubChem CID 114417665) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
PubChem CID114417665
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
SMILESCc1cc(Oc2ccncc2)c(F)cc1N
InChIInChI=1S/C12H11FN2O/c1-8-6-12(10(13)7-11(8)14)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3
InChIKeyCXTVHZJGEQTPNM-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

2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
CID 160574792
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
4-(4-amino-2-fluoro-5-methylphenoxy)-2-chlorobenzonitrile
CID 114417482
5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 114417666
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-fluoro-2-methylaniline
CID 114417467
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
4-(1,3-benzothiazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417456
3-(4-amino-2-fluoro-5-methylphenoxy)-1-cyclopropylpyrazin-2-one
CID 114417463
methyl 4-(4-amino-2-fluoro-5-methylphenoxy)pyrimidine-2-carboxylate
CID 114417468
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline?
The IUPAC name of 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline (CID 114417665) is 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline?
The canonical SMILES for 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline is Cc1cc(Oc2ccncc2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline?
The InChIKey is CXTVHZJGEQTPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-6-12(10(13)7-11(8)14)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3.
What are the key properties of 5-fluoro-2-methyl-4-pyridin-4-yloxyaniline?
5-fluoro-2-methyl-4-pyridin-4-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-2-methyl-4-pyridin-4-yloxyaniline is sourced from PubChem (CID 114417665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).