2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline

C13H11Br2ClN2 — CID 107631263

IUPAC2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ncc(Br)cc2Br)c1
InChIInChI=1S/C13H11Br2ClN2/c1-8-2-3-11(16)12(4-8)18-7-13-10(15)5-9(14)6-17-13/h2-6,18H,7H2,1H3
InChIKeyCJPLQUPVGDMFLG-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.18
Rot. Bonds3

About 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline

2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline (PubChem CID 107631263) has the molecular formula C13H11Br2ClN2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
PubChem CID107631263
Molecular FormulaC13H11Br2ClN2
Molecular Weight390.51 g/mol
Exact Mass387.90
IUPAC Name2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ncc(Br)cc2Br)c1
InChIInChI=1S/C13H11Br2ClN2/c1-8-2-3-11(16)12(4-8)18-7-13-10(15)5-9(14)6-17-13/h2-6,18H,7H2,1H3
InChIKeyCJPLQUPVGDMFLG-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 107634838
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
CID 107638028
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline (CID 107631263) is 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline is Cc1ccc(Cl)c(NCc2ncc(Br)cc2Br)c1.
What is the InChIKey of 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline?
The InChIKey is CJPLQUPVGDMFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2/c1-8-2-3-11(16)12(4-8)18-7-13-10(15)5-9(14)6-17-13/h2-6,18H,7H2,1H3.
What are the key properties of 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline?
2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline has a molecular weight of 390.51 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline is sourced from PubChem (CID 107631263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).