3-chloro-5-(1,1-difluoroethyl)pyridine

C7H6ClF2N — CID 118107873

IUPAC3-chloro-5-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1cncc(Cl)c1
InChIInChI=1S/C7H6ClF2N/c1-7(9,10)5-2-6(8)4-11-3-5/h2-4H,1H3
InChIKeyMWTHIQLEVHJNRM-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.85
Rot. Bonds1

About 3-chloro-5-(1,1-difluoroethyl)pyridine

3-chloro-5-(1,1-difluoroethyl)pyridine (PubChem CID 118107873) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is 3-chloro-5-(1,1-difluoroethyl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(1,1-difluoroethyl)pyridine
PubChem CID118107873
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC Name3-chloro-5-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1cncc(Cl)c1
InChIInChI=1S/C7H6ClF2N/c1-7(9,10)5-2-6(8)4-11-3-5/h2-4H,1H3
InChIKeyMWTHIQLEVHJNRM-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1-difluoroethyl)pyridine?
The IUPAC name of 3-chloro-5-(1,1-difluoroethyl)pyridine (CID 118107873) is 3-chloro-5-(1,1-difluoroethyl)pyridine.
What is the SMILES notation for 3-chloro-5-(1,1-difluoroethyl)pyridine?
The canonical SMILES for 3-chloro-5-(1,1-difluoroethyl)pyridine is CC(F)(F)c1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-(1,1-difluoroethyl)pyridine?
The InChIKey is MWTHIQLEVHJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c1-7(9,10)5-2-6(8)4-11-3-5/h2-4H,1H3.
What are the key properties of 3-chloro-5-(1,1-difluoroethyl)pyridine?
3-chloro-5-(1,1-difluoroethyl)pyridine has a molecular weight of 177.58 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1-difluoroethyl)pyridine is sourced from PubChem (CID 118107873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).