2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile

C13H11BrN4 — CID 82702336

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
SMILESCc1ccc(N)c(Nc2ccc(Br)cc2C#N)n1
InChIInChI=1S/C13H11BrN4/c1-8-2-4-11(16)13(17-8)18-12-5-3-10(14)6-9(12)7-15/h2-6H,16H2,1H3,(H,17,18)
InChIKeyXMEFMPZTXIQUIN-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.35
Rot. Bonds2

About 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile

2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile (PubChem CID 82702336) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
PubChem CID82702336
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
SMILESCc1ccc(N)c(Nc2ccc(Br)cc2C#N)n1
InChIInChI=1S/C13H11BrN4/c1-8-2-4-11(16)13(17-8)18-12-5-3-10(14)6-9(12)7-15/h2-6H,16H2,1H3,(H,17,18)
InChIKeyXMEFMPZTXIQUIN-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

2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734
2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
CID 103192737
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713041
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713314

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile (CID 82702336) is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile is Cc1ccc(N)c(Nc2ccc(Br)cc2C#N)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The InChIKey is XMEFMPZTXIQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-2-4-11(16)13(17-8)18-12-5-3-10(14)6-9(12)7-15/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-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 2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile is sourced from PubChem (CID 82702336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).