2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile

C13H7ClF3N3 — CID 3692928

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3N3/c14-10-5-8(13(15,16)17)7-20-12(10)9(6-18)11-3-1-2-4-19-11/h1-5,7,9H
InChIKeyNHLFYQDLTPJOFM-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.80
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile (PubChem CID 3692928) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile
PubChem CID3692928
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3N3/c14-10-5-8(13(15,16)17)7-20-12(10)9(6-18)11-3-1-2-4-19-11/h1-5,7,9H
InChIKeyNHLFYQDLTPJOFM-UHFFFAOYSA-N
XLogP3.80
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile (CID 3692928) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile is N#CC(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The InChIKey is NHLFYQDLTPJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-10-5-8(13(15,16)17)7-20-12(10)9(6-18)11-3-1-2-4-19-11/h1-5,7,9H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile has a molecular weight of 297.67 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 3692928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).