5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine

C15H12BrClFN — CID 126515832

IUPAC5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine
SMILESC=C1C=CC(Br)=CN1/C(=C\C)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12BrClFN/c1-3-15(13-7-6-12(17)8-14(13)18)19-9-11(16)5-4-10(19)2/h3-9H,2H2,1H3/b15-3-
InChIKeyFKESADMKGJWMID-CQPUUCJISA-N
MW340.62 g/mol
LogP5.46
Rot. Bonds2

About 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine

5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine (PubChem CID 126515832) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine.

Molecular Properties

Compound Name5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine
PubChem CID126515832
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC Name5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine
SMILESC=C1C=CC(Br)=CN1/C(=C\C)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12BrClFN/c1-3-15(13-7-6-12(17)8-14(13)18)19-9-11(16)5-4-10(19)2/h3-9H,2H2,1H3/b15-3-
InChIKeyFKESADMKGJWMID-CQPUUCJISA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine?
The IUPAC name of 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine (CID 126515832) is 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine.
What is the SMILES notation for 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine?
The canonical SMILES for 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine is C=C1C=CC(Br)=CN1/C(=C\C)c1ccc(Cl)cc1F.
What is the InChIKey of 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine?
The InChIKey is FKESADMKGJWMID-CQPUUCJISA-N. The full InChI is InChI=1S/C15H12BrClFN/c1-3-15(13-7-6-12(17)8-14(13)18)19-9-11(16)5-4-10(19)2/h3-9H,2H2,1H3/b15-3-.
What are the key properties of 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine?
5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine has a molecular weight of 340.62 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(Z)-1-(4-chloro-2-fluorophenyl)prop-1-enyl]-2-methylidenepyridine is sourced from PubChem (CID 126515832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).