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

C13H5Cl5N2 — CID 134637455

IUPAC2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cnc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl
InChIInChI=1S/C13H5Cl5N2/c14-6-3-8(11(17)9(15)4-6)13-12(18)7(1-2-19)10(16)5-20-13/h3-5H,1H2
InChIKeyNACUAIKFHNTWPH-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.08
Rot. Bonds2

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

2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 134637455) has the molecular formula C13H5Cl5N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID134637455
Molecular FormulaC13H5Cl5N2
Molecular Weight366.46 g/mol
Exact Mass363.89
IUPAC Name2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cnc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl
InChIInChI=1S/C13H5Cl5N2/c14-6-3-8(11(17)9(15)4-6)13-12(18)7(1-2-19)10(16)5-20-13/h3-5H,1H2
InChIKeyNACUAIKFHNTWPH-UHFFFAOYSA-N
XLogP6.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134637614
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile (CID 134637455) is 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1c(Cl)cnc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl.
What is the InChIKey of 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is NACUAIKFHNTWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl5N2/c14-6-3-8(11(17)9(15)4-6)13-12(18)7(1-2-19)10(16)5-20-13/h3-5H,1H2.
What are the key properties of 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 366.46 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).