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

C13H7Cl2FN2 — CID 133094533

IUPAC2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
SMILESN#CCc1c(F)cncc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-8-1-2-12(15)10(5-8)11-6-18-7-13(16)9(11)3-4-17/h1-2,5-7H,3H2
InChIKeyNLSZTCFTVJBYCU-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

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

2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile (PubChem CID 133094533) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
PubChem CID133094533
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
SMILESN#CCc1c(F)cncc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-8-1-2-12(15)10(5-8)11-6-18-7-13(16)9(11)3-4-17/h1-2,5-7H,3H2
InChIKeyNLSZTCFTVJBYCU-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

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Related Compounds

2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131869874
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-(3-chloro-6-fluoro-2-iodophenyl)acetonitrile
CID 171004728
2-[3-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131143629
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile (CID 133094533) is 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile is N#CCc1c(F)cncc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile?
The InChIKey is NLSZTCFTVJBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-8-1-2-12(15)10(5-8)11-6-18-7-13(16)9(11)3-4-17/h1-2,5-7H,3H2.
What are the key properties of 2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile?
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-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-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).