1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide

C10H11ClFN3O — CID 146145511

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2c(F)cncc2Cl)C1
InChIInChI=1S/C10H11ClFN3O/c11-7-3-14-4-8(12)9(7)15-2-1-6(5-15)10(13)16/h3-4,6H,1-2,5H2,(H2,13,16)
InChIKeyXZACOVTXTFVEMH-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.19
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide

1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 146145511) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID146145511
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2c(F)cncc2Cl)C1
InChIInChI=1S/C10H11ClFN3O/c11-7-3-14-4-8(12)9(7)15-2-1-6(5-15)10(13)16/h3-4,6H,1-2,5H2,(H2,13,16)
InChIKeyXZACOVTXTFVEMH-UHFFFAOYSA-N
XLogP1.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide 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 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide (CID 146145511) is 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2c(F)cncc2Cl)C1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is XZACOVTXTFVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-7-3-14-4-8(12)9(7)15-2-1-6(5-15)10(13)16/h3-4,6H,1-2,5H2,(H2,13,16).
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide?
1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 146145511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).