5-butyl-2-(3,4-difluorophenyl)pyridine

C15H15F2N — CID 70829894

IUPAC5-butyl-2-(3,4-difluorophenyl)pyridine
SMILESCCCCc1ccc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H15F2N/c1-2-3-4-11-5-8-15(18-10-11)12-6-7-13(16)14(17)9-12/h5-10H,2-4H2,1H3
InChIKeyIWTQTCDSDOPTCX-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.37
Rot. Bonds4

About 5-butyl-2-(3,4-difluorophenyl)pyridine

5-butyl-2-(3,4-difluorophenyl)pyridine (PubChem CID 70829894) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-butyl-2-(3,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name5-butyl-2-(3,4-difluorophenyl)pyridine
PubChem CID70829894
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-butyl-2-(3,4-difluorophenyl)pyridine
SMILESCCCCc1ccc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H15F2N/c1-2-3-4-11-5-8-15(18-10-11)12-6-7-13(16)14(17)9-12/h5-10H,2-4H2,1H3
InChIKeyIWTQTCDSDOPTCX-UHFFFAOYSA-N
XLogP4.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
CID 19859304
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
CID 58383763
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3,4-difluorophenyl)pyridine?
The IUPAC name of 5-butyl-2-(3,4-difluorophenyl)pyridine (CID 70829894) is 5-butyl-2-(3,4-difluorophenyl)pyridine.
What is the SMILES notation for 5-butyl-2-(3,4-difluorophenyl)pyridine?
The canonical SMILES for 5-butyl-2-(3,4-difluorophenyl)pyridine is CCCCc1ccc(-c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 5-butyl-2-(3,4-difluorophenyl)pyridine?
The InChIKey is IWTQTCDSDOPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-2-3-4-11-5-8-15(18-10-11)12-6-7-13(16)14(17)9-12/h5-10H,2-4H2,1H3.
What are the key properties of 5-butyl-2-(3,4-difluorophenyl)pyridine?
5-butyl-2-(3,4-difluorophenyl)pyridine has a molecular weight of 247.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3,4-difluorophenyl)pyridine is sourced from PubChem (CID 70829894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).