5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine

C8H11BrFN — CID 163520131

IUPAC5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine
SMILESCC(C)N1C=C(Br)C=CC1F
InChIInChI=1S/C8H11BrFN/c1-6(2)11-5-7(9)3-4-8(11)10/h3-6,8H,1-2H3
InChIKeyDKCCTSZBTATHGR-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.80
Rot. Bonds1

About 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine

5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine (PubChem CID 163520131) has the molecular formula C8H11BrFN and a molecular weight of 220.09 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine
PubChem CID163520131
Molecular FormulaC8H11BrFN
Molecular Weight220.09 g/mol
Exact Mass219.01
IUPAC Name5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine
SMILESCC(C)N1C=C(Br)C=CC1F
InChIInChI=1S/C8H11BrFN/c1-6(2)11-5-7(9)3-4-8(11)10/h3-6,8H,1-2H3
InChIKeyDKCCTSZBTATHGR-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine?
The IUPAC name of 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine (CID 163520131) is 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine?
The canonical SMILES for 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine is CC(C)N1C=C(Br)C=CC1F.
What is the InChIKey of 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine?
The InChIKey is DKCCTSZBTATHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN/c1-6(2)11-5-7(9)3-4-8(11)10/h3-6,8H,1-2H3.
What are the key properties of 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine?
5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine has a molecular weight of 220.09 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 163520131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).