3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine

C10H8BrClF3N — CID 170498064

IUPAC3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)c(C=CCCBr)c1
InChIInChI=1S/C10H8BrClF3N/c11-4-2-1-3-7-5-8(10(13,14)15)6-16-9(7)12/h1,3,5-6H,2,4H2
InChIKeyBMDMIFZZCYPVHP-UHFFFAOYSA-N
MW314.53 g/mol
LogP4.55
Rot. Bonds3

About 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine

3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine (PubChem CID 170498064) has the molecular formula C10H8BrClF3N and a molecular weight of 314.53 g/mol. Its IUPAC name is 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine
PubChem CID170498064
Molecular FormulaC10H8BrClF3N
Molecular Weight314.53 g/mol
Exact Mass312.95
IUPAC Name3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)c(C=CCCBr)c1
InChIInChI=1S/C10H8BrClF3N/c11-4-2-1-3-7-5-8(10(13,14)15)6-16-9(7)12/h1,3,5-6H,2,4H2
InChIKeyBMDMIFZZCYPVHP-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-ene-1-thiol
CID 169455788
ethyl (E)-3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 140543607
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
5-bromo-4-(4-bromobut-1-enyl)-2-chloropyridine
CID 170498502
5-(4-bromobut-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 170498124
3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 169464082
3-[2-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-ene-1-thiol
CID 169455747
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169454116
4-(4-bromobut-1-enyl)-2,3-dichloropyridine
CID 170498497
4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
CID 170798498
1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine (CID 170498064) is 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cl)c(C=CCCBr)c1.
What is the InChIKey of 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is BMDMIFZZCYPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3N/c11-4-2-1-3-7-5-8(10(13,14)15)6-16-9(7)12/h1,3,5-6H,2,4H2.
What are the key properties of 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine?
3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 314.53 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 170498064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).