5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine

C10H12ClFN2 — CID 79728793

IUPAC5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2/c1-7-3-2-4-14(7)10-9(12)5-8(11)6-13-10/h5-7H,2-4H2,1H3
InChIKeyPGFJZPZGLLFKSP-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine

5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine (PubChem CID 79728793) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
PubChem CID79728793
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2/c1-7-3-2-4-14(7)10-9(12)5-8(11)6-13-10/h5-7H,2-4H2,1H3
InChIKeyPGFJZPZGLLFKSP-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine (CID 79728793) is 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine is CC1CCCN1c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine?
The InChIKey is PGFJZPZGLLFKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-7-3-2-4-14(7)10-9(12)5-8(11)6-13-10/h5-7H,2-4H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine?
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine has a molecular weight of 214.67 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 79728793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).