3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine

C8H6Cl2F3N — CID 112655896

IUPAC3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
SMILESFC(F)(F)C(Cl)Cc1ccncc1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-4-14-2-1-5(6)3-7(10)8(11,12)13/h1-2,4,7H,3H2
InChIKeyKRUGETJQQJXVHC-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.45
Rot. Bonds2

About 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine

3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine (PubChem CID 112655896) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
PubChem CID112655896
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
SMILESFC(F)(F)C(Cl)Cc1ccncc1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-4-14-2-1-5(6)3-7(10)8(11,12)13/h1-2,4,7H,3H2
InChIKeyKRUGETJQQJXVHC-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.45
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-[2-bromo-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-chloropyridine
CID 116629479
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-(2-chloro-4,5,5-trimethylhexyl)pyridine
CID 112655993
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
[2-(3-chloro-4-pyridinyl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105314802
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The IUPAC name of 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine (CID 112655896) is 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine.
What is the SMILES notation for 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The canonical SMILES for 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine is FC(F)(F)C(Cl)Cc1ccncc1Cl.
What is the InChIKey of 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine?
The InChIKey is KRUGETJQQJXVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c9-6-4-14-2-1-5(6)3-7(10)8(11,12)13/h1-2,4,7H,3H2.
What are the key properties of 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine?
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine has a molecular weight of 244.04 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine is sourced from PubChem (CID 112655896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).