1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C13H14BrN3 — CID 115379125

IUPAC1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2ccc(Br)cn2)c1
InChIInChI=1S/C13H14BrN3/c1-17(2)12-5-3-4-11(8-12)16-13-7-6-10(14)9-15-13/h3-9H,1-2H3,(H,15,16)
InChIKeyXECBFASOGIIRPW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.65
Rot. Bonds3

About 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115379125) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115379125
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2ccc(Br)cn2)c1
InChIInChI=1S/C13H14BrN3/c1-17(2)12-5-3-4-11(8-12)16-13-7-6-10(14)9-15-13/h3-9H,1-2H3,(H,15,16)
InChIKeyXECBFASOGIIRPW-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 46209105
3-[(5-bromo-2-pyridinyl)amino]benzonitrile
CID 61375083
3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine
CID 89066576
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
5-bromo-2-[3-(dimethylamino)anilino]benzonitrile
CID 114890796
1-N-[(5-bromo-3-pyridinyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113454201

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115379125) is 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(Nc2ccc(Br)cn2)c1.
What is the InChIKey of 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is XECBFASOGIIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17(2)12-5-3-4-11(8-12)16-13-7-6-10(14)9-15-13/h3-9H,1-2H3,(H,15,16).
What are the key properties of 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 292.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115379125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).