5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine

C24H15ClFNO — CID 171404731

IUPAC5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(-c2cccc3c2oc2c(F)cccc23)ncc1Cl
InChIInChI=1S/C24H15ClFNO/c1-14-6-2-3-7-15(14)19-12-22(27-13-20(19)25)18-10-4-8-16-17-9-5-11-21(26)24(17)28-23(16)18/h2-13H,1H3/i1D3
InChIKeyHRVRIQZJYPGYOS-FIBGUPNXSA-N
MW390.86 g/mol
LogP7.42
Rot. Bonds3

About 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine

5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine (PubChem CID 171404731) has the molecular formula C24H15ClFNO and a molecular weight of 390.86 g/mol. Its IUPAC name is 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
PubChem CID171404731
Molecular FormulaC24H15ClFNO
Molecular Weight390.86 g/mol
Exact Mass390.10
IUPAC Name5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(-c2cccc3c2oc2c(F)cccc23)ncc1Cl
InChIInChI=1S/C24H15ClFNO/c1-14-6-2-3-7-15(14)19-12-22(27-13-20(19)25)18-10-4-8-16-17-9-5-11-21(26)24(17)28-23(16)18/h2-13H,1H3/i1D3
InChIKeyHRVRIQZJYPGYOS-FIBGUPNXSA-N
XLogP7.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.86
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230
trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
CID 168743718
trimethyl-[4-[2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]silane
CID 157408157
trimethyl-[[2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]methyl]silane
CID 171724015
4-(2-deuteriopropan-2-yl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 166588109
4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157144601
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-18-(trideuteriomethyl)-3-oxa-17-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 176823661
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 176814936
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450257
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153490155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine (CID 171404731) is 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1ccccc1-c1cc(-c2cccc3c2oc2c(F)cccc23)ncc1Cl.
What is the InChIKey of 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is HRVRIQZJYPGYOS-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H15ClFNO/c1-14-6-2-3-7-15(14)19-12-22(27-13-20(19)25)18-10-4-8-16-17-9-5-11-21(26)24(17)28-23(16)18/h2-13H,1H3/i1D3.
What are the key properties of 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 390.86 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 171404731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).