4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile

C13H11BrN4 — CID 112736027

IUPAC4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
SMILESCc1cnc(Nc2ccc(C#N)c(Br)c2)cc1N
InChIInChI=1S/C13H11BrN4/c1-8-7-17-13(5-12(8)16)18-10-3-2-9(6-15)11(14)4-10/h2-5,7H,1H3,(H3,16,17,18)
InChIKeyVKQBGKACHWTTRB-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.35
Rot. Bonds2

About 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile

4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile (PubChem CID 112736027) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
PubChem CID112736027
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
SMILESCc1cnc(Nc2ccc(C#N)c(Br)c2)cc1N
InChIInChI=1S/C13H11BrN4/c1-8-7-17-13(5-12(8)16)18-10-3-2-9(6-15)11(14)4-10/h2-5,7H,1H3,(H3,16,17,18)
InChIKeyVKQBGKACHWTTRB-UHFFFAOYSA-N
XLogP3.35
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107787129
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266561
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
CID 107275779

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile?
The IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile (CID 112736027) is 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile.
What is the SMILES notation for 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile?
The canonical SMILES for 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile is Cc1cnc(Nc2ccc(C#N)c(Br)c2)cc1N.
What is the InChIKey of 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile?
The InChIKey is VKQBGKACHWTTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-7-17-13(5-12(8)16)18-10-3-2-9(6-15)11(14)4-10/h2-5,7H,1H3,(H3,16,17,18).
What are the key properties of 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile?
4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile is sourced from PubChem (CID 112736027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).