(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone

C11H13FN2O — CID 116580596

IUPAC(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cncc(F)c2)CCCN1
InChIInChI=1S/C11H13FN2O/c1-11(3-2-4-14-11)10(15)8-5-9(12)7-13-6-8/h5-7,14H,2-4H2,1H3
InChIKeyMDQVZXDEJMDKET-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.55
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone

(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580596) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580596
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cncc(F)c2)CCCN1
InChIInChI=1S/C11H13FN2O/c1-11(3-2-4-14-11)10(15)8-5-9(12)7-13-6-8/h5-7,14H,2-4H2,1H3
InChIKeyMDQVZXDEJMDKET-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580596) is (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2cncc(F)c2)CCCN1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is MDQVZXDEJMDKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(3-2-4-14-11)10(15)8-5-9(12)7-13-6-8/h5-7,14H,2-4H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 208.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).