[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine

C13H12BrFN2O — CID 106878446

IUPAC[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
SMILESCc1ccnc(Oc2cccc(F)c2CN)c1Br
InChIInChI=1S/C13H12BrFN2O/c1-8-5-6-17-13(12(8)14)18-11-4-2-3-10(15)9(11)7-16/h2-6H,7,16H2,1H3
InChIKeyGIQNSRWJAAFLGM-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.54
Rot. Bonds3

About [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine

[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine (PubChem CID 106878446) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
PubChem CID106878446
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
SMILESCc1ccnc(Oc2cccc(F)c2CN)c1Br
InChIInChI=1S/C13H12BrFN2O/c1-8-5-6-17-13(12(8)14)18-11-4-2-3-10(15)9(11)7-16/h2-6H,7,16H2,1H3
InChIKeyGIQNSRWJAAFLGM-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine (CID 106878446) is [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine is Cc1ccnc(Oc2cccc(F)c2CN)c1Br.
What is the InChIKey of [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The InChIKey is GIQNSRWJAAFLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-5-6-17-13(12(8)14)18-11-4-2-3-10(15)9(11)7-16/h2-6H,7,16H2,1H3.
What are the key properties of [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine?
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine has a molecular weight of 311.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine is sourced from PubChem (CID 106878446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).