3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline

C12H10F2N2O — CID 55031499

IUPAC3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2c(F)cc(N)cc2F)cn1
InChIInChI=1S/C12H10F2N2O/c1-7-2-3-9(6-16-7)17-12-10(13)4-8(15)5-11(12)14/h2-6H,15H2,1H3
InChIKeySVAHNPXRGUVJHT-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.04
Rot. Bonds2

About 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline

3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline (PubChem CID 55031499) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
PubChem CID55031499
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2c(F)cc(N)cc2F)cn1
InChIInChI=1S/C12H10F2N2O/c1-7-2-3-9(6-16-7)17-12-10(13)4-8(15)5-11(12)14/h2-6H,15H2,1H3
InChIKeySVAHNPXRGUVJHT-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.04
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

3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 169081096
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
3,5-difluoro-4-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 63457086
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
CID 54902859
3,5-difluoro-4-(4-methylsulfonylphenoxy)aniline
CID 61015522
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
methyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
6-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 81132734

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The IUPAC name of 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline (CID 55031499) is 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline.
What is the SMILES notation for 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The canonical SMILES for 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline is Cc1ccc(Oc2c(F)cc(N)cc2F)cn1.
What is the InChIKey of 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
The InChIKey is SVAHNPXRGUVJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-7-2-3-9(6-16-7)17-12-10(13)4-8(15)5-11(12)14/h2-6H,15H2,1H3.
What are the key properties of 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline?
3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline has a molecular weight of 236.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 55031499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).