2-(2-chloro-3,3,3-trifluoropropyl)pyridine

C8H7ClF3N — CID 66461379

IUPAC2-(2-chloro-3,3,3-trifluoropropyl)pyridine
SMILESFC(F)(F)C(Cl)Cc1ccccn1
InChIInChI=1S/C8H7ClF3N/c9-7(8(10,11)12)5-6-3-1-2-4-13-6/h1-4,7H,5H2
InChIKeyWEPHRSYREOMLMZ-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.79
Rot. Bonds2

About 2-(2-chloro-3,3,3-trifluoropropyl)pyridine

2-(2-chloro-3,3,3-trifluoropropyl)pyridine (PubChem CID 66461379) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-(2-chloro-3,3,3-trifluoropropyl)pyridine.

Molecular Properties

Compound Name2-(2-chloro-3,3,3-trifluoropropyl)pyridine
PubChem CID66461379
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-(2-chloro-3,3,3-trifluoropropyl)pyridine
SMILESFC(F)(F)C(Cl)Cc1ccccn1
InChIInChI=1S/C8H7ClF3N/c9-7(8(10,11)12)5-6-3-1-2-4-13-6/h1-4,7H,5H2
InChIKeyWEPHRSYREOMLMZ-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.79
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

2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 104622945
(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 145217845
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
CID 103311490
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-amino-3-pyridin-2-ylpropanal
CID 22556784
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxy)propan-1-amine
CID 43752970
2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
2-(2-chloro-4-methoxybutyl)pyridine
CID 66461980
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The IUPAC name of 2-(2-chloro-3,3,3-trifluoropropyl)pyridine (CID 66461379) is 2-(2-chloro-3,3,3-trifluoropropyl)pyridine.
What is the SMILES notation for 2-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The canonical SMILES for 2-(2-chloro-3,3,3-trifluoropropyl)pyridine is FC(F)(F)C(Cl)Cc1ccccn1.
What is the InChIKey of 2-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The InChIKey is WEPHRSYREOMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-7(8(10,11)12)5-6-3-1-2-4-13-6/h1-4,7H,5H2.
What are the key properties of 2-(2-chloro-3,3,3-trifluoropropyl)pyridine?
2-(2-chloro-3,3,3-trifluoropropyl)pyridine has a molecular weight of 209.60 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,3,3-trifluoropropyl)pyridine is sourced from PubChem (CID 66461379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).