4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile

C15H11ClF2N2 — CID 160643533

IUPAC4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile
SMILESC=C1C(Cl)=CC=C(c2ccc(C#N)cc2)N1CC(F)F
InChIInChI=1S/C15H11ClF2N2/c1-10-13(16)6-7-14(20(10)9-15(17)18)12-4-2-11(8-19)3-5-12/h2-7,15H,1,9H2
InChIKeyPYJUEYMPQBJOSB-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.12
Rot. Bonds3

About 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile

4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile (PubChem CID 160643533) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile
PubChem CID160643533
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile
SMILESC=C1C(Cl)=CC=C(c2ccc(C#N)cc2)N1CC(F)F
InChIInChI=1S/C15H11ClF2N2/c1-10-13(16)6-7-14(20(10)9-15(17)18)12-4-2-11(8-19)3-5-12/h2-7,15H,1,9H2
InChIKeyPYJUEYMPQBJOSB-UHFFFAOYSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile (CID 160643533) is 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile is C=C1C(Cl)=CC=C(c2ccc(C#N)cc2)N1CC(F)F.
What is the InChIKey of 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile?
The InChIKey is PYJUEYMPQBJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-10-13(16)6-7-14(20(10)9-15(17)18)12-4-2-11(8-19)3-5-12/h2-7,15H,1,9H2.
What are the key properties of 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile?
4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile has a molecular weight of 292.72 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(2,2-difluoroethyl)-6-methylidene-2-pyridinyl]benzonitrile is sourced from PubChem (CID 160643533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).