2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile

C13H8Cl3N3 — CID 134618494

IUPAC2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1N
InChIInChI=1S/C13H8Cl3N3/c14-9-4-10(15)12(11(16)5-9)8-3-7(1-2-17)13(18)19-6-8/h3-6H,1H2,(H2,18,19)
InChIKeyYDYLJRXADZRUIQ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.36
Rot. Bonds2

About 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile

2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 134618494) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID134618494
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1N
InChIInChI=1S/C13H8Cl3N3/c14-9-4-10(15)12(11(16)5-9)8-3-7(1-2-17)13(18)19-6-8/h3-6H,1H2,(H2,18,19)
InChIKeyYDYLJRXADZRUIQ-UHFFFAOYSA-N
XLogP4.36
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119014537
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (CID 134618494) is 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1N.
What is the InChIKey of 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is YDYLJRXADZRUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-9-4-10(15)12(11(16)5-9)8-3-7(1-2-17)13(18)19-6-8/h3-6H,1H2,(H2,18,19).
What are the key properties of 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile has a molecular weight of 312.59 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134618494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).