3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid

C10H10ClFN2O2 — CID 139405230

IUPAC3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)nc(F)c1Cl
InChIInChI=1S/C10H10ClFN2O2/c11-8-6(10(15)16)5-7(13-9(8)12)14-3-1-2-4-14/h5H,1-4H2,(H,15,16)
InChIKeyVCMPAPJUIGTZFF-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.17
Rot. Bonds2

About 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid

3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid (PubChem CID 139405230) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
PubChem CID139405230
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)nc(F)c1Cl
InChIInChI=1S/C10H10ClFN2O2/c11-8-6(10(15)16)5-7(13-9(8)12)14-3-1-2-4-14/h5H,1-4H2,(H,15,16)
InChIKeyVCMPAPJUIGTZFF-UHFFFAOYSA-N
XLogP2.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid (CID 139405230) is 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid is O=C(O)c1cc(N2CCCC2)nc(F)c1Cl.
What is the InChIKey of 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The InChIKey is VCMPAPJUIGTZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-8-6(10(15)16)5-7(13-9(8)12)14-3-1-2-4-14/h5H,1-4H2,(H,15,16).
What are the key properties of 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid?
3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 139405230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).