4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline

C13H11BrCl2N2 — CID 79266900

IUPAC4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C13H11BrCl2N2/c1-8-3-2-4-10(18-8)7-17-13-11(15)5-9(14)6-12(13)16/h2-6,17H,7H2,1H3
InChIKeyGKNQBDIXCDUFFV-UHFFFAOYSA-N
MW346.06 g/mol
LogP5.07
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline

4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 79266900) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID79266900
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C13H11BrCl2N2/c1-8-3-2-4-10(18-8)7-17-13-11(15)5-9(14)6-12(13)16/h2-6,17H,7H2,1H3
InChIKeyGKNQBDIXCDUFFV-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.06
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 107644377
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79073678
4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
CID 28993216
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923
2,6-difluoro-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 103828478

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 79266900) is 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline is Cc1cccc(CNc2c(Cl)cc(Br)cc2Cl)n1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is GKNQBDIXCDUFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-8-3-2-4-10(18-8)7-17-13-11(15)5-9(14)6-12(13)16/h2-6,17H,7H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 346.06 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 79266900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).