3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile

C11H6BrClN4 — CID 107792409

IUPAC3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)nn2)c(Br)c1
InChIInChI=1S/C11H6BrClN4/c12-8-5-7(6-14)1-2-9(8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17)
InChIKeyKSCYTBRQWSZJGY-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.51
Rot. Bonds2

About 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile

3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile (PubChem CID 107792409) has the molecular formula C11H6BrClN4 and a molecular weight of 309.55 g/mol. Its IUPAC name is 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile
PubChem CID107792409
Molecular FormulaC11H6BrClN4
Molecular Weight309.55 g/mol
Exact Mass307.95
IUPAC Name3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)nn2)c(Br)c1
InChIInChI=1S/C11H6BrClN4/c12-8-5-7(6-14)1-2-9(8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17)
InChIKeyKSCYTBRQWSZJGY-UHFFFAOYSA-N
XLogP3.51
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253
3-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 64918738
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
3-bromo-4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795220
4-(2-amino-4,5-dichloroanilino)-3-bromobenzonitrile
CID 107787215
6-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54953901
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248
3-bromo-4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 107795247
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The IUPAC name of 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile (CID 107792409) is 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile.
What is the SMILES notation for 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The canonical SMILES for 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile is N#Cc1ccc(Nc2ccc(Cl)nn2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The InChIKey is KSCYTBRQWSZJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4/c12-8-5-7(6-14)1-2-9(8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17).
What are the key properties of 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile?
3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile has a molecular weight of 309.55 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile is sourced from PubChem (CID 107792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).