2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

C27H24ClFN2 — CID 155908905

IUPAC2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESCc1cccnc1-c1cc(Cl)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C27H24ClFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3
InChIKeyGFPNPDIJNCOSCP-UHFFFAOYSA-N
MW430.95 g/mol
LogP7.88
Rot. Bonds3

About 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (PubChem CID 155908905) has the molecular formula C27H24ClFN2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
PubChem CID155908905
Molecular FormulaC27H24ClFN2
Molecular Weight430.95 g/mol
Exact Mass430.16
IUPAC Name2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESCc1cccnc1-c1cc(Cl)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C27H24ClFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3
InChIKeyGFPNPDIJNCOSCP-UHFFFAOYSA-N
XLogP7.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.95
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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13-Chloro-2-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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13-Chloro-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (CID 155908905) is 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is Cc1cccnc1-c1cc(Cl)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The InChIKey is GFPNPDIJNCOSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3.
What are the key properties of 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine has a molecular weight of 430.95 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[4-chloro-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).