3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine

C15H18ClFN4O2 — CID 66869068

IUPAC3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccnn1OCCCl
InChIInChI=1S/C15H18ClFN4O2/c1-22-15-12(9-11(17)10-18-15)13-3-2-7-20(13)14-4-6-19-21(14)23-8-5-16/h4,6,9-10,13H,2-3,5,7-8H2,1H3/t13-/m1/s1
InChIKeyIOTKOTYQRHGTNQ-CYBMUJFWSA-N
MW340.79 g/mol
LogP2.43
Rot. Bonds6

About 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine

3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine (PubChem CID 66869068) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine
PubChem CID66869068
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccnn1OCCCl
InChIInChI=1S/C15H18ClFN4O2/c1-22-15-12(9-11(17)10-18-15)13-3-2-7-20(13)14-4-6-19-21(14)23-8-5-16/h4,6,9-10,13H,2-3,5,7-8H2,1H3/t13-/m1/s1
InChIKeyIOTKOTYQRHGTNQ-CYBMUJFWSA-N
XLogP2.43
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine?
The IUPAC name of 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine (CID 66869068) is 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine.
What is the SMILES notation for 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine?
The canonical SMILES for 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine is COc1ncc(F)cc1[C@H]1CCCN1c1ccnn1OCCCl.
What is the InChIKey of 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine?
The InChIKey is IOTKOTYQRHGTNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18ClFN4O2/c1-22-15-12(9-11(17)10-18-15)13-3-2-7-20(13)14-4-6-19-21(14)23-8-5-16/h4,6,9-10,13H,2-3,5,7-8H2,1H3/t13-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine?
3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine has a molecular weight of 340.79 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(2-chloroethoxy)pyrazol-3-yl]pyrrolidin-2-yl]-5-fluoro-2-methoxypyridine is sourced from PubChem (CID 66869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).