2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine

C15H13BrFN — CID 146292543

IUPAC2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
SMILESC/C=C(/Br)c1ncc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H13BrFN/c1-3-14(16)15-10(2)8-12(9-18-15)11-4-6-13(17)7-5-11/h3-9H,1-2H3/b14-3+
InChIKeyVZSGFCIDEWAZFO-LZWSPWQCSA-N
MW306.18 g/mol
LogP4.95
Rot. Bonds2

About 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine

2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine (PubChem CID 146292543) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
PubChem CID146292543
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
SMILESC/C=C(/Br)c1ncc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H13BrFN/c1-3-14(16)15-10(2)8-12(9-18-15)11-4-6-13(17)7-5-11/h3-9H,1-2H3/b14-3+
InChIKeyVZSGFCIDEWAZFO-LZWSPWQCSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine?
The IUPAC name of 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine (CID 146292543) is 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine is C/C=C(/Br)c1ncc(-c2ccc(F)cc2)cc1C.
What is the InChIKey of 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine?
The InChIKey is VZSGFCIDEWAZFO-LZWSPWQCSA-N. The full InChI is InChI=1S/C15H13BrFN/c1-3-14(16)15-10(2)8-12(9-18-15)11-4-6-13(17)7-5-11/h3-9H,1-2H3/b14-3+.
What are the key properties of 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine?
2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine has a molecular weight of 306.18 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 146292543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).