[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine

C13H12BrFN2O — CID 64854885

IUPAC[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(F)c(Oc2ncc(Br)cc2CN)c1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-3-11(15)12(4-8)18-13-9(6-16)5-10(14)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeyXFTBDRLQSYCJKM-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.54
Rot. Bonds3

About [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine

[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine (PubChem CID 64854885) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
PubChem CID64854885
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(F)c(Oc2ncc(Br)cc2CN)c1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-3-11(15)12(4-8)18-13-9(6-16)5-10(14)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeyXFTBDRLQSYCJKM-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

[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 64853407
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
[2-(2-fluoro-5-methylphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 64853800

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine (CID 64854885) is [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine is Cc1ccc(F)c(Oc2ncc(Br)cc2CN)c1.
What is the InChIKey of [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is XFTBDRLQSYCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-2-3-11(15)12(4-8)18-13-9(6-16)5-10(14)7-17-13/h2-5,7H,6,16H2,1H3.
What are the key properties of [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]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 [5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 64854885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).