3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine

C10H10BrF2N — CID 66612812

IUPAC3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine
SMILESCC(CC=C(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H10BrF2N/c1-7(2-3-10(12)13)8-4-9(11)6-14-5-8/h3-7H,2H2,1H3
InChIKeySXBHUYQUEJNDMM-UHFFFAOYSA-N
MW262.10 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine

3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine (PubChem CID 66612812) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine
PubChem CID66612812
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine
SMILESCC(CC=C(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H10BrF2N/c1-7(2-3-10(12)13)8-4-9(11)6-14-5-8/h3-7H,2H2,1H3
InChIKeySXBHUYQUEJNDMM-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine (CID 66612812) is 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine is CC(CC=C(F)F)c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine?
The InChIKey is SXBHUYQUEJNDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c1-7(2-3-10(12)13)8-4-9(11)6-14-5-8/h3-7H,2H2,1H3.
What are the key properties of 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine?
3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine has a molecular weight of 262.10 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5,5-difluoropent-4-en-2-yl)pyridine is sourced from PubChem (CID 66612812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).