1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C13H14BrN3 — CID 106760668

IUPAC1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccncc1Br
InChIInChI=1S/C13H14BrN3/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-15-9-10(11)14/h3-9H,1-2H3,(H,15,16)
InChIKeyYNHITHHKVBFRLU-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.65
Rot. Bonds3

About 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106760668) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106760668
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccncc1Br
InChIInChI=1S/C13H14BrN3/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-15-9-10(11)14/h3-9H,1-2H3,(H,15,16)
InChIKeyYNHITHHKVBFRLU-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

3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
CID 110452966
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
CID 104777924
3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
CID 113452139
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
5-[(3-bromo-4-pyridinyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 104778147

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106760668) is 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1Nc1ccncc1Br.
What is the InChIKey of 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is YNHITHHKVBFRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-15-9-10(11)14/h3-9H,1-2H3,(H,15,16).
What are the key properties of 1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-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-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106760668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).