3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine

C9H10ClFN2 — CID 58408444

IUPAC3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine
SMILESFC1(c2cncc(Cl)c2)CCNC1
InChIInChI=1S/C9H10ClFN2/c10-8-3-7(4-13-5-8)9(11)1-2-12-6-9/h3-5,12H,1-2,6H2
InChIKeyLLUYPXRMAPRTNS-UHFFFAOYSA-N
MW200.64 g/mol
LogP1.89
Rot. Bonds1

About 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine

3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine (PubChem CID 58408444) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine
PubChem CID58408444
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine
SMILESFC1(c2cncc(Cl)c2)CCNC1
InChIInChI=1S/C9H10ClFN2/c10-8-3-7(4-13-5-8)9(11)1-2-12-6-9/h3-5,12H,1-2,6H2
InChIKeyLLUYPXRMAPRTNS-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine?
The IUPAC name of 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine (CID 58408444) is 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine?
The canonical SMILES for 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine is FC1(c2cncc(Cl)c2)CCNC1.
What is the InChIKey of 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine?
The InChIKey is LLUYPXRMAPRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2/c10-8-3-7(4-13-5-8)9(11)1-2-12-6-9/h3-5,12H,1-2,6H2.
What are the key properties of 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine?
3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine has a molecular weight of 200.64 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluoropyrrolidin-3-yl)pyridine is sourced from PubChem (CID 58408444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).