5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile

C14H11BrCl2N4 — CID 102759368

IUPAC5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCNc1nc(Nc2ccc(Br)cc2C#N)c(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2N4/c1-2-19-13-10(16)6-11(17)14(21-13)20-12-4-3-9(15)5-8(12)7-18/h3-6H,2H2,1H3,(H2,19,20,21)
InChIKeyNCQUWMKLIICVIK-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.20
Rot. Bonds4

About 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile

5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile (PubChem CID 102759368) has the molecular formula C14H11BrCl2N4 and a molecular weight of 386.08 g/mol. Its IUPAC name is 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
PubChem CID102759368
Molecular FormulaC14H11BrCl2N4
Molecular Weight386.08 g/mol
Exact Mass383.95
IUPAC Name5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCNc1nc(Nc2ccc(Br)cc2C#N)c(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2N4/c1-2-19-13-10(16)6-11(17)14(21-13)20-12-4-3-9(15)5-8(12)7-18/h3-6H,2H2,1H3,(H2,19,20,21)
InChIKeyNCQUWMKLIICVIK-UHFFFAOYSA-N
XLogP5.20
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702336
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile (CID 102759368) is 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile is CCNc1nc(Nc2ccc(Br)cc2C#N)c(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The InChIKey is NCQUWMKLIICVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N4/c1-2-19-13-10(16)6-11(17)14(21-13)20-12-4-3-9(15)5-8(12)7-18/h3-6H,2H2,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile has a molecular weight of 386.08 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 102759368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).