2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile

C13H7Cl2FN2 — CID 133094368

IUPAC2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2/c14-10-3-1-8(7-11(10)15)9-2-4-13(16)18-12(9)5-6-17/h1-4,7H,5H2
InChIKeyAQDADZHCZVCBLN-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

About 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile

2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile (PubChem CID 133094368) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
PubChem CID133094368
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2/c14-10-3-1-8(7-11(10)15)9-2-4-13(16)18-12(9)5-6-17/h1-4,7H,5H2
InChIKeyAQDADZHCZVCBLN-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-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093909
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
2-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]acetonitrile
CID 116901038
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile (CID 133094368) is 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile is N#CCc1nc(F)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is AQDADZHCZVCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-10-3-1-8(7-11(10)15)9-2-4-13(16)18-12(9)5-6-17/h1-4,7H,5H2.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile?
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-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-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).