2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C13H11Br3N2O — CID 114936392

IUPAC2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2c(Br)cc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br3N2O/c1-19-12-3-2-8(6-17-12)7-18-13-10(15)4-9(14)5-11(13)16/h2-6,18H,7H2,1H3
InChIKeyWCEMXATZLJLOOE-UHFFFAOYSA-N
MW450.96 g/mol
LogP4.99
Rot. Bonds4

About 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline

2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936392) has the molecular formula C13H11Br3N2O and a molecular weight of 450.96 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936392
Molecular FormulaC13H11Br3N2O
Molecular Weight450.96 g/mol
Exact Mass447.84
IUPAC Name2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2c(Br)cc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br3N2O/c1-19-12-3-2-8(6-17-12)7-18-13-10(15)4-9(14)5-11(13)16/h2-6,18H,7H2,1H3
InChIKeyWCEMXATZLJLOOE-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
CID 28991723
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936392) is 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2c(Br)cc(Br)cc2Br)cn1.
What is the InChIKey of 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is WCEMXATZLJLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2O/c1-19-12-3-2-8(6-17-12)7-18-13-10(15)4-9(14)5-11(13)16/h2-6,18H,7H2,1H3.
What are the key properties of 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 450.96 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).