4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline

C12H9Br2FN2O — CID 114417661

IUPAC4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2ncc(Br)cc2Br)c(F)cc1N
InChIInChI=1S/C12H9Br2FN2O/c1-6-2-11(9(15)4-10(6)16)18-12-8(14)3-7(13)5-17-12/h2-5H,16H2,1H3
InChIKeyGKOHOVTVLRSSHS-UHFFFAOYSA-N
MW376.02 g/mol
LogP4.43
Rot. Bonds2

About 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline

4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline (PubChem CID 114417661) has the molecular formula C12H9Br2FN2O and a molecular weight of 376.02 g/mol. Its IUPAC name is 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
PubChem CID114417661
Molecular FormulaC12H9Br2FN2O
Molecular Weight376.02 g/mol
Exact Mass373.91
IUPAC Name4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2ncc(Br)cc2Br)c(F)cc1N
InChIInChI=1S/C12H9Br2FN2O/c1-6-2-11(9(15)4-10(6)16)18-12-8(14)3-7(13)5-17-12/h2-5H,16H2,1H3
InChIKeyGKOHOVTVLRSSHS-UHFFFAOYSA-N
XLogP4.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.02
LogP ≤ 54.43
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-[(E)-2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 16221445
N-[(2-bromo-5-methoxyphenyl)methyl]pyridin-3-amine
CID 103828029
3-Bromo-6-methoxyquinoline
CID 14758587
4-Methoxy-2-methyl-N-(4-pyridinylmethylene)benzenamine monohydrochloride
CID 3058441
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline
CID 2783085
4-Bromo-6-methoxyquinoline
CID 11160747
2-(4-Bromophenoxy)-5-methylpyridine
CID 24700025
6-(3-Ethylphenoxy)pyridin-3-amine
CID 24695844
6-[3-(Trifluoromethyl)phenoxy]pyridin-3-amine
CID 2779608
[3-(Pyridin-2-yloxy)benzyl]amine
CID 3614709
4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylaniline
CID 12817739
[3-[5-(Trifluoromethyl)pyridin-2-yl]oxyphenyl]methanamine
CID 16774585

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline?
The IUPAC name of 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline (CID 114417661) is 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline?
The canonical SMILES for 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline is Cc1cc(Oc2ncc(Br)cc2Br)c(F)cc1N.
What is the InChIKey of 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline?
The InChIKey is GKOHOVTVLRSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O/c1-6-2-11(9(15)4-10(6)16)18-12-8(14)3-7(13)5-17-12/h2-5H,16H2,1H3.
What are the key properties of 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline?
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline has a molecular weight of 376.02 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline is sourced from PubChem (CID 114417661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).