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

C13H11Br3N2 — CID 112650051

IUPAC2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccnc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2/c1-8-3-2-4-17-12(8)7-18-13-10(15)5-9(14)6-11(13)16/h2-6,18H,7H2,1H3
InChIKeyGUVIDKJGZXCQPN-UHFFFAOYSA-N
MW434.96 g/mol
LogP5.29
Rot. Bonds3

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

2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline (PubChem CID 112650051) has the molecular formula C13H11Br3N2 and a molecular weight of 434.96 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
PubChem CID112650051
Molecular FormulaC13H11Br3N2
Molecular Weight434.96 g/mol
Exact Mass431.85
IUPAC Name2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccnc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2/c1-8-3-2-4-17-12(8)7-18-13-10(15)5-9(14)6-11(13)16/h2-6,18H,7H2,1H3
InChIKeyGUVIDKJGZXCQPN-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.96
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 114881034
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305980
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 79528692
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115981921
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline (CID 112650051) is 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline is Cc1cccnc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is GUVIDKJGZXCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2/c1-8-3-2-4-17-12(8)7-18-13-10(15)5-9(14)6-11(13)16/h2-6,18H,7H2,1H3.
What are the key properties of 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline?
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 434.96 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 112650051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).