[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine

C13H12Br2N2O2 — CID 81251189

IUPAC[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1cc(Br)c(Oc2ccncc2CN)cc1Br
InChIInChI=1S/C13H12Br2N2O2/c1-18-12-4-10(15)13(5-9(12)14)19-11-2-3-17-7-8(11)6-16/h2-5,7H,6,16H2,1H3
InChIKeySRLDJIFMEUHGKG-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.87
Rot. Bonds4

About [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine

[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine (PubChem CID 81251189) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
PubChem CID81251189
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1cc(Br)c(Oc2ccncc2CN)cc1Br
InChIInChI=1S/C13H12Br2N2O2/c1-18-12-4-10(15)13(5-9(12)14)19-11-2-3-17-7-8(11)6-16/h2-5,7H,6,16H2,1H3
InChIKeySRLDJIFMEUHGKG-UHFFFAOYSA-N
XLogP3.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81251048
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine (CID 81251189) is [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine is COc1cc(Br)c(Oc2ccncc2CN)cc1Br.
What is the InChIKey of [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The InChIKey is SRLDJIFMEUHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c1-18-12-4-10(15)13(5-9(12)14)19-11-2-3-17-7-8(11)6-16/h2-5,7H,6,16H2,1H3.
What are the key properties of [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine?
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine has a molecular weight of 388.06 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81251189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).