2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline

C13H12BrClN2 — CID 103478067

IUPAC2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C13H12BrClN2/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(15)13(12)14/h2-7,17H,8H2,1H3
InChIKeyJHQIMDDWGJKOMJ-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.42
Rot. Bonds3

About 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline

2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 103478067) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID103478067
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C13H12BrClN2/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(15)13(12)14/h2-7,17H,8H2,1H3
InChIKeyJHQIMDDWGJKOMJ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
2-bromo-3-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]aniline
CID 103478270
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-nitroaniline
CID 55141890
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324
N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
CID 55142270
4-[(2-bromo-3-chloroanilino)methyl]benzoic acid
CID 103478689
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 103478067) is 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2cccc(Cl)c2Br)cn1.
What is the InChIKey of 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is JHQIMDDWGJKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(15)13(12)14/h2-7,17H,8H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 311.61 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 103478067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).