3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C14H15BrClN3 — CID 66159679

IUPAC3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClN3/c1-19(2)14-5-6-17-9-13(14)18-8-10-7-11(16)3-4-12(10)15/h3-7,9,18H,8H2,1-2H3
InChIKeyPJIOTKTXFKYEBZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.18
Rot. Bonds4

About 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 66159679) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID66159679
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClN3/c1-19(2)14-5-6-17-9-13(14)18-8-10-7-11(16)3-4-12(10)15/h3-7,9,18H,8H2,1-2H3
InChIKeyPJIOTKTXFKYEBZ-UHFFFAOYSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 66159679) is 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NCc1cc(Cl)ccc1Br.
What is the InChIKey of 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is PJIOTKTXFKYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-19(2)14-5-6-17-9-13(14)18-8-10-7-11(16)3-4-12(10)15/h3-7,9,18H,8H2,1-2H3.
What are the key properties of 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 340.65 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 66159679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).