5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine

C12H10BrFN2O — CID 79534312

IUPAC5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(F)c(Oc2ncc(N)cc2Br)c1
InChIInChI=1S/C12H10BrFN2O/c1-7-2-3-10(14)11(4-7)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3
InChIKeyMXRXIINBHQMSMJ-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine

5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine (PubChem CID 79534312) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine
PubChem CID79534312
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(F)c(Oc2ncc(N)cc2Br)c1
InChIInChI=1S/C12H10BrFN2O/c1-7-2-3-10(14)11(4-7)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3
InChIKeyMXRXIINBHQMSMJ-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine (CID 79534312) is 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine is Cc1ccc(F)c(Oc2ncc(N)cc2Br)c1.
What is the InChIKey of 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine?
The InChIKey is MXRXIINBHQMSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-7-2-3-10(14)11(4-7)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine?
5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine has a molecular weight of 297.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-fluoro-5-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 79534312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).