3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile

C13H9Cl2N3O — CID 106951535

IUPAC3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3O/c1-19-11-3-2-7(6-16)4-8(11)12-9(14)5-10(15)13(17)18-12/h2-5H,1H3,(H2,17,18)
InChIKeyIZIXSWOCZFLWJE-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.52
Rot. Bonds2

About 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile

3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile (PubChem CID 106951535) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
PubChem CID106951535
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3O/c1-19-11-3-2-7(6-16)4-8(11)12-9(14)5-10(15)13(17)18-12/h2-5H,1H3,(H2,17,18)
InChIKeyIZIXSWOCZFLWJE-UHFFFAOYSA-N
XLogP3.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-1,2,5-thiadiazol-3-yl)-4-methoxybenzonitrile
CID 106951514
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951542
3-(6-chloro-5-methoxypyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951422
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
CID 106951468
3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
CID 106951503
3,5-dichloro-6-(3-methoxy-2-pyridinyl)pyridin-2-amine
CID 114054154
4-methoxy-3-[3-(methylamino)pyrazin-2-yl]benzonitrile
CID 106951570
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
CID 106951592

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile?
The IUPAC name of 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile (CID 106951535) is 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile.
What is the SMILES notation for 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile?
The canonical SMILES for 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile is COc1ccc(C#N)cc1-c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile?
The InChIKey is IZIXSWOCZFLWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c1-19-11-3-2-7(6-16)4-8(11)12-9(14)5-10(15)13(17)18-12/h2-5H,1H3,(H2,17,18).
What are the key properties of 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile?
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile has a molecular weight of 294.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile is sourced from PubChem (CID 106951535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).