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

C13H8Cl3N3 — CID 119005753

IUPAC2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3N3/c14-10-5-12(16)11(15)4-8(10)9-3-7(1-2-17)6-19-13(9)18/h3-6H,1H2,(H2,18,19)
InChIKeyONQYTSOFAAIBAM-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.36
Rot. Bonds2

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

2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 119005753) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID119005753
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3N3/c14-10-5-12(16)11(15)4-8(10)9-3-7(1-2-17)6-19-13(9)18/h3-6H,1H2,(H2,18,19)
InChIKeyONQYTSOFAAIBAM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4,5-trichlorophenyl)pyridin-2-amine
CID 119020095
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
CID 118997102
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-(4-amino-3-chlorophenyl)acetonitrile
CID 18621878
2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093909
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile (CID 119005753) is 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(N)c(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is ONQYTSOFAAIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-10-5-12(16)11(15)4-8(10)9-3-7(1-2-17)6-19-13(9)18/h3-6H,1H2,(H2,18,19).
What are the key properties of 2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile?
2-[6-amino-5-(2,4,5-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-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119005753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).