2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

C24F12N6 — CID 87228051

IUPAC2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(=C1C(=C(C#N)c2c(F)c(F)nc(F)c2F)C1=C(C#N)c1c(F)c(F)nc(F)c1F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C24F12N6/c25-13-10(14(26)20(32)40-19(13)31)4(1-37)7-8(5(2-38)11-15(27)21(33)41-22(34)16(11)28)9(7)6(3-39)12-17(29)23(35)42-24(36)18(12)30/b7-4-,8-5-,9-6-
InChIKeyNMXOXVZHLCCDRS-PXLQOLDUSA-N
MW600.28 g/mol
LogP5.79
Rot. Bonds3

About 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (PubChem CID 87228051) has the molecular formula C24F12N6 and a molecular weight of 600.28 g/mol. Its IUPAC name is 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
PubChem CID87228051
Molecular FormulaC24F12N6
Molecular Weight600.28 g/mol
Exact Mass600.00
IUPAC Name2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(=C1C(=C(C#N)c2c(F)c(F)nc(F)c2F)C1=C(C#N)c1c(F)c(F)nc(F)c1F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C24F12N6/c25-13-10(14(26)20(32)40-19(13)31)4(1-37)7-8(5(2-38)11-15(27)21(33)41-22(34)16(11)28)9(7)6(3-39)12-17(29)23(35)42-24(36)18(12)30/b7-4-,8-5-,9-6-
InChIKeyNMXOXVZHLCCDRS-PXLQOLDUSA-N
XLogP5.79
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.28
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The IUPAC name of 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (CID 87228051) is 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is N#CC(=C1C(=C(C#N)c2c(F)c(F)nc(F)c2F)C1=C(C#N)c1c(F)c(F)nc(F)c1F)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The InChIKey is NMXOXVZHLCCDRS-PXLQOLDUSA-N. The full InChI is InChI=1S/C24F12N6/c25-13-10(14(26)20(32)40-19(13)31)4(1-37)7-8(5(2-38)11-15(27)21(33)41-22(34)16(11)28)9(7)6(3-39)12-17(29)23(35)42-24(36)18(12)30/b7-4-,8-5-,9-6-.
What are the key properties of 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile has a molecular weight of 600.28 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]cyclopropylidene]-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is sourced from PubChem (CID 87228051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).