4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine

C9H7BrF3N — CID 71743889

IUPAC4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2cc(Br)ccn2)CC1
InChIInChI=1S/C9H7BrF3N/c10-6-1-4-14-7(5-6)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2
InChIKeyAJYRTYGOUARIGD-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.44
Rot. Bonds1

About 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine

4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine (PubChem CID 71743889) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine
PubChem CID71743889
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2cc(Br)ccn2)CC1
InChIInChI=1S/C9H7BrF3N/c10-6-1-4-14-7(5-6)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2
InChIKeyAJYRTYGOUARIGD-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The IUPAC name of 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine (CID 71743889) is 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The canonical SMILES for 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine is FC(F)(F)C1(c2cc(Br)ccn2)CC1.
What is the InChIKey of 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The InChIKey is AJYRTYGOUARIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-6-1-4-14-7(5-6)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2.
What are the key properties of 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine has a molecular weight of 266.06 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 71743889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).