2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile

C13H7Cl2FN2 — CID 133094509

IUPAC2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)cc2Cl)cnc1F
InChIInChI=1S/C13H7Cl2FN2/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-17)13(16)18-7-9/h1-2,5-7H,3H2
InChIKeyBHQMLOHVRNVZEN-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

About 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile

2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile (PubChem CID 133094509) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
PubChem CID133094509
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)cc2Cl)cnc1F
InChIInChI=1S/C13H7Cl2FN2/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-17)13(16)18-7-9/h1-2,5-7H,3H2
InChIKeyBHQMLOHVRNVZEN-UHFFFAOYSA-N
XLogP4.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
3-(2,4-dichlorophenyl)-2,5-difluoropyridine
CID 133090808

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile (CID 133094509) is 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile is N#CCc1cc(-c2ccc(Cl)cc2Cl)cnc1F.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is BHQMLOHVRNVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-17)13(16)18-7-9/h1-2,5-7H,3H2.
What are the key properties of 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile?
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).