2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile

C7H4ClFN2 — CID 130980972

IUPAC2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(F)c(Cl)cn1
InChIInChI=1S/C7H4ClFN2/c8-6-4-11-5(1-2-10)3-7(6)9/h3-4H,1H2
InChIKeyRBRZMFYIKUWFJE-UHFFFAOYSA-N
MW170.57 g/mol
LogP1.94
Rot. Bonds1

About 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile

2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile (PubChem CID 130980972) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile
PubChem CID130980972
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(F)c(Cl)cn1
InChIInChI=1S/C7H4ClFN2/c8-6-4-11-5(1-2-10)3-7(6)9/h3-4H,1H2
InChIKeyRBRZMFYIKUWFJE-UHFFFAOYSA-N
XLogP1.94
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile (CID 130980972) is 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile is N#CCc1cc(F)c(Cl)cn1.
What is the InChIKey of 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile?
The InChIKey is RBRZMFYIKUWFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c8-6-4-11-5(1-2-10)3-7(6)9/h3-4H,1H2.
What are the key properties of 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile?
2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile has a molecular weight of 170.57 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 130980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).