2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

C30H17ClF3N — CID 164939632

IUPAC2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C30H17ClF3N/c31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18/h1-17H/b21-19-,22-20-,25-23-,27-24-
InChIKeyRIUHYRPJHBWTHR-OBHVCNFOSA-N
MW483.92 g/mol
LogP9.40
Rot. Bonds1

About 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 164939632) has the molecular formula C30H17ClF3N and a molecular weight of 483.92 g/mol. Its IUPAC name is 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
PubChem CID164939632
Molecular FormulaC30H17ClF3N
Molecular Weight483.92 g/mol
Exact Mass483.10
IUPAC Name2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C30H17ClF3N/c31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18/h1-17H/b21-19-,22-20-,25-23-,27-24-
InChIKeyRIUHYRPJHBWTHR-OBHVCNFOSA-N
XLogP9.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.92
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (CID 164939632) is 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is RIUHYRPJHBWTHR-OBHVCNFOSA-N. The full InChI is InChI=1S/C30H17ClF3N/c31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18/h1-17H/b21-19-,22-20-,25-23-,27-24-.
What are the key properties of 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 483.92 g/mol, XLogP of 9.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 164939632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).