2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine

C9H9ClF2N2 — CID 131116353

IUPAC2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
SMILESFC1(F)CCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C9H9ClF2N2/c10-7-2-1-3-8(13-7)14-5-4-9(11,12)6-14/h1-3H,4-6H2
InChIKeyGWNFQGCCNUHTEW-UHFFFAOYSA-N
MW218.63 g/mol
LogP2.58
Rot. Bonds1

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine (PubChem CID 131116353) has the molecular formula C9H9ClF2N2 and a molecular weight of 218.63 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
PubChem CID131116353
Molecular FormulaC9H9ClF2N2
Molecular Weight218.63 g/mol
Exact Mass218.04
IUPAC Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
SMILESFC1(F)CCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C9H9ClF2N2/c10-7-2-1-3-8(13-7)14-5-4-9(11,12)6-14/h1-3H,4-6H2
InChIKeyGWNFQGCCNUHTEW-UHFFFAOYSA-N
XLogP2.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine?
The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine (CID 131116353) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine is FC1(F)CCN(c2cccc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine?
The InChIKey is GWNFQGCCNUHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2/c10-7-2-1-3-8(13-7)14-5-4-9(11,12)6-14/h1-3H,4-6H2.
What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine?
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine has a molecular weight of 218.63 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine is sourced from PubChem (CID 131116353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).