2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine

C26H22F2N2 — CID 155908941

IUPAC2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine
SMILESCc1cc(-c2ncccc2C)c(-c2cc(F)c(C)cc2-c2ncccc2C)cc1F
InChIInChI=1S/C26H22F2N2/c1-15-7-5-9-29-25(15)21-11-17(3)23(27)13-19(21)20-14-24(28)18(4)12-22(20)26-16(2)8-6-10-30-26/h5-14H,1-4H3
InChIKeyZKKMTPNVDXKGMN-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.99
Rot. Bonds3

About 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine

2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine (PubChem CID 155908941) has the molecular formula C26H22F2N2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine
PubChem CID155908941
Molecular FormulaC26H22F2N2
Molecular Weight400.47 g/mol
Exact Mass400.18
IUPAC Name2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine
SMILESCc1cc(-c2ncccc2C)c(-c2cc(F)c(C)cc2-c2ncccc2C)cc1F
InChIInChI=1S/C26H22F2N2/c1-15-7-5-9-29-25(15)21-11-17(3)23(27)13-19(21)20-14-24(28)18(4)12-22(20)26-16(2)8-6-10-30-26/h5-14H,1-4H3
InChIKeyZKKMTPNVDXKGMN-UHFFFAOYSA-N
XLogP6.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine?
The IUPAC name of 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine (CID 155908941) is 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine.
What is the SMILES notation for 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine?
The canonical SMILES for 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine is Cc1cc(-c2ncccc2C)c(-c2cc(F)c(C)cc2-c2ncccc2C)cc1F.
What is the InChIKey of 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine?
The InChIKey is ZKKMTPNVDXKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2/c1-15-7-5-9-29-25(15)21-11-17(3)23(27)13-19(21)20-14-24(28)18(4)12-22(20)26-16(2)8-6-10-30-26/h5-14H,1-4H3.
What are the key properties of 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine?
2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine has a molecular weight of 400.47 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[5-fluoro-4-methyl-2-(3-methyl-2-pyridinyl)phenyl]-5-methylphenyl]-3-methylpyridine is sourced from PubChem (CID 155908941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).