4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine

C21H17F2N — CID 25033809

IUPAC4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H17F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h4-13,18H,1-3H2
InChIKeyBJPNKNRGZIZMII-UHFFFAOYSA-N
MW321.37 g/mol
LogP5.49
Rot. Bonds2

About 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine

4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine (PubChem CID 25033809) has the molecular formula C21H17F2N and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine.

Molecular Properties

Compound Name4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
PubChem CID25033809
Molecular FormulaC21H17F2N
Molecular Weight321.37 g/mol
Exact Mass321.13
IUPAC Name4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H17F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h4-13,18H,1-3H2
InChIKeyBJPNKNRGZIZMII-UHFFFAOYSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine?
The IUPAC name of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine (CID 25033809) is 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine.
What is the SMILES notation for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine?
The canonical SMILES for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine is Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F.
What is the InChIKey of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine?
The InChIKey is BJPNKNRGZIZMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h4-13,18H,1-3H2.
What are the key properties of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine?
4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine has a molecular weight of 321.37 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine is sourced from PubChem (CID 25033809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).