6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine

C13H14BrN3 — CID 80761080

IUPAC6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-2-15-12-7-4-8-13(17-12)16-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H2,15,16,17)
InChIKeyDEQXQQNSYWHFSG-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.02
Rot. Bonds4

About 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80761080) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80761080
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-2-15-12-7-4-8-13(17-12)16-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H2,15,16,17)
InChIKeyDEQXQQNSYWHFSG-UHFFFAOYSA-N
XLogP4.02
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
CID 114223074
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
CID 80769194
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine (CID 80761080) is 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is DEQXQQNSYWHFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-2-15-12-7-4-8-13(17-12)16-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 292.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80761080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).