2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine

C17H19F2N — CID 123377285

IUPAC2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine
SMILESCCC(C)(CC)c1cc(F)cc(F)c1-c1ccccn1
InChIInChI=1S/C17H19F2N/c1-4-17(3,5-2)13-10-12(18)11-14(19)16(13)15-8-6-7-9-20-15/h6-11H,4-5H2,1-3H3
InChIKeyHSRPVWTWULNOEP-UHFFFAOYSA-N
MW275.34 g/mol
LogP5.10
Rot. Bonds4

About 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine

2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine (PubChem CID 123377285) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine
PubChem CID123377285
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine
SMILESCCC(C)(CC)c1cc(F)cc(F)c1-c1ccccn1
InChIInChI=1S/C17H19F2N/c1-4-17(3,5-2)13-10-12(18)11-14(19)16(13)15-8-6-7-9-20-15/h6-11H,4-5H2,1-3H3
InChIKeyHSRPVWTWULNOEP-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
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CID 126634641
3-fluoro-2-pyridin-2-ylpyridine;methoxymethane
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2-(2-fluoro-6-methoxyphenyl)pyridine
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2-(2-fluorophenyl)-1-pyridin-2-ylbutan-2-amine
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2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409
carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
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2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine?
The IUPAC name of 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine (CID 123377285) is 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine?
The canonical SMILES for 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine is CCC(C)(CC)c1cc(F)cc(F)c1-c1ccccn1.
What is the InChIKey of 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine?
The InChIKey is HSRPVWTWULNOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-4-17(3,5-2)13-10-12(18)11-14(19)16(13)15-8-6-7-9-20-15/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine?
2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine has a molecular weight of 275.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-6-(3-methylpentan-3-yl)phenyl]pyridine is sourced from PubChem (CID 123377285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).