3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine

C9H7BrF3N — CID 169475829

IUPAC3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C=CCBr
InChIInChI=1S/C9H7BrF3N/c10-4-1-2-7-6-14-5-3-8(7)9(11,12)13/h1-3,5-6H,4H2
InChIKeyBXEJKGNKGAAJDF-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.51
Rot. Bonds2

About 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine

3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine (PubChem CID 169475829) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
PubChem CID169475829
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C=CCBr
InChIInChI=1S/C9H7BrF3N/c10-4-1-2-7-6-14-5-3-8(7)9(11,12)13/h1-3,5-6H,4H2
InChIKeyBXEJKGNKGAAJDF-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trifluoromethyl)-3-pyridinyl]but-3-enoic acid
CID 170483925
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459394
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 169460692
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169476062
[4-(trifluoromethyl)-3-pyridinyl]methanimine
CID 142976342
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
benzyl N-[4-[4-(trifluoromethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170494425
4-(3-bromoprop-1-enyl)-3-(trifluoromethyl)benzonitrile
CID 169476302
3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
CID 121418428
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
7,8-bis(trifluoromethyl)isoquinoline;hydrochloride
CID 159665833
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine (CID 169475829) is 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccncc1C=CCBr.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The InChIKey is BXEJKGNKGAAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-4-1-2-7-6-14-5-3-8(7)9(11,12)13/h1-3,5-6H,4H2.
What are the key properties of 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine?
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine has a molecular weight of 266.06 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 169475829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).