2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine

C12H10BrFN2O — CID 114671679

IUPAC2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
SMILESCc1ccnc(Oc2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H10BrFN2O/c1-7-4-5-16-12(11(7)15)17-10-6-8(13)2-3-9(10)14/h2-6H,15H2,1H3
InChIKeyVFBAVURZLHCWAV-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.67
Rot. Bonds2

About 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine

2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine (PubChem CID 114671679) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
PubChem CID114671679
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
SMILESCc1ccnc(Oc2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H10BrFN2O/c1-7-4-5-16-12(11(7)15)17-10-6-8(13)2-3-9(10)14/h2-6H,15H2,1H3
InChIKeyVFBAVURZLHCWAV-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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Related Compounds

4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 114671732
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
CID 106537014
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine (CID 114671679) is 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine is Cc1ccnc(Oc2cc(Br)ccc2F)c1N.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine?
The InChIKey is VFBAVURZLHCWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-7-4-5-16-12(11(7)15)17-10-6-8(13)2-3-9(10)14/h2-6H,15H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine?
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-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 2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 114671679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).