N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline

C12H9BrCl2N2 — CID 65467806

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1ccc(Br)cn1
InChIInChI=1S/C12H9BrCl2N2/c13-8-4-5-9(16-6-8)7-17-12-10(14)2-1-3-11(12)15/h1-6,17H,7H2
InChIKeyPZGJVIXMVTWHAO-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.76
Rot. Bonds3

About N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline

N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline (PubChem CID 65467806) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
PubChem CID65467806
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1ccc(Br)cn1
InChIInChI=1S/C12H9BrCl2N2/c13-8-4-5-9(16-6-8)7-17-12-10(14)2-1-3-11(12)15/h1-6,17H,7H2
InChIKeyPZGJVIXMVTWHAO-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572987
5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 122156984
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
N-[(5-bromo-2-pyridinyl)methyl]-3-fluoro-2-iodoaniline
CID 114258358
N-[(5-bromo-2-pyridinyl)methyl]-4-chloro-2-iodoaniline
CID 107632508
N-[(5-bromo-2-pyridinyl)methyl]-4-(2-chloroethyl)aniline
CID 104811172
N-[(5-bromo-2-pyridinyl)methyl]-1-[3-(chloromethyl)phenyl]methanamine
CID 113455886
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline (CID 65467806) is N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline is Clc1cccc(Cl)c1NCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline?
The InChIKey is PZGJVIXMVTWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-8-4-5-9(16-6-8)7-17-12-10(14)2-1-3-11(12)15/h1-6,17H,7H2.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline?
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline has a molecular weight of 332.03 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 65467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).