10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine

C24H14F4N2O — CID 118920506

IUPAC10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine
SMILESCc1cccc(-c2c(F)c(F)nc(F)c2F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H14F4N2O/c1-13-7-6-8-14(19-20(25)23(27)29-24(28)21(19)26)22(13)30-15-9-2-4-11-17(15)31-18-12-5-3-10-16(18)30/h2-12H,1H3
InChIKeyUYAWJMBBUSUTFM-UHFFFAOYSA-N
MW422.38 g/mol
LogP7.19
Rot. Bonds2

About 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine

10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine (PubChem CID 118920506) has the molecular formula C24H14F4N2O and a molecular weight of 422.38 g/mol. Its IUPAC name is 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine
PubChem CID118920506
Molecular FormulaC24H14F4N2O
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC Name10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine
SMILESCc1cccc(-c2c(F)c(F)nc(F)c2F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H14F4N2O/c1-13-7-6-8-14(19-20(25)23(27)29-24(28)21(19)26)22(13)30-15-9-2-4-11-17(15)31-18-12-5-3-10-16(18)30/h2-12H,1H3
InChIKeyUYAWJMBBUSUTFM-UHFFFAOYSA-N
XLogP7.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.38
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine?
The IUPAC name of 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine (CID 118920506) is 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine?
The canonical SMILES for 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine is Cc1cccc(-c2c(F)c(F)nc(F)c2F)c1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine?
The InChIKey is UYAWJMBBUSUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N2O/c1-13-7-6-8-14(19-20(25)23(27)29-24(28)21(19)26)22(13)30-15-9-2-4-11-17(15)31-18-12-5-3-10-16(18)30/h2-12H,1H3.
What are the key properties of 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine?
10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine has a molecular weight of 422.38 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-methyl-6-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]phenoxazine is sourced from PubChem (CID 118920506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).