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

C12H11FN2O — CID 160574792

IUPAC2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
SMILESCc1cc(N)c(F)cc1Oc1ccncc1
InChIInChI=1S/C12H11FN2O/c1-8-6-11(14)10(13)7-12(8)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3
InChIKeyXWKHIVUCXCXCRE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.90
Rot. Bonds2

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

2-fluoro-5-methyl-4-pyridin-4-yloxyaniline (PubChem CID 160574792) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
PubChem CID160574792
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
SMILESCc1cc(N)c(F)cc1Oc1ccncc1
InChIInChI=1S/C12H11FN2O/c1-8-6-11(14)10(13)7-12(8)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3
InChIKeyXWKHIVUCXCXCRE-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

5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium
CID 173128568
2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
CID 146469919
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-bromo-5-methyl-4-phenoxyaniline
CID 134607216
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline?
The IUPAC name of 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline (CID 160574792) is 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline.
What is the SMILES notation for 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline?
The canonical SMILES for 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline is Cc1cc(N)c(F)cc1Oc1ccncc1.
What is the InChIKey of 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline?
The InChIKey is XWKHIVUCXCXCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-6-11(14)10(13)7-12(8)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3.
What are the key properties of 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline?
2-fluoro-5-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 2-fluoro-5-methyl-4-pyridin-4-yloxyaniline is sourced from PubChem (CID 160574792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).