4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile

C12H8Br2N4 — CID 107787260

IUPAC4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2ncc(Br)cc2N)c(Br)c1
InChIInChI=1S/C12H8Br2N4/c13-8-4-10(16)12(17-6-8)18-11-2-1-7(5-15)3-9(11)14/h1-4,6H,16H2,(H,17,18)
InChIKeyMKESUPACMDSCQT-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.80
Rot. Bonds2

About 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile

4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile (PubChem CID 107787260) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile.

Molecular Properties

Compound Name4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
PubChem CID107787260
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2ncc(Br)cc2N)c(Br)c1
InChIInChI=1S/C12H8Br2N4/c13-8-4-10(16)12(17-6-8)18-11-2-1-7(5-15)3-9(11)14/h1-4,6H,16H2,(H,17,18)
InChIKeyMKESUPACMDSCQT-UHFFFAOYSA-N
XLogP3.80
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
CID 107787200
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
4-(2-amino-4,5-dichloroanilino)-3-bromobenzonitrile
CID 107787215
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
3-bromo-4-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]benzonitrile
CID 107795355
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile?
The IUPAC name of 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile (CID 107787260) is 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile.
What is the SMILES notation for 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile?
The canonical SMILES for 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile is N#Cc1ccc(Nc2ncc(Br)cc2N)c(Br)c1.
What is the InChIKey of 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile?
The InChIKey is MKESUPACMDSCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-8-4-10(16)12(17-6-8)18-11-2-1-7(5-15)3-9(11)14/h1-4,6H,16H2,(H,17,18).
What are the key properties of 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile?
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile has a molecular weight of 368.03 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile is sourced from PubChem (CID 107787260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).