methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate

C17H17FN2O3 — CID 126806929

IUPACmethyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(O)(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H17FN2O3/c1-23-16(21)14-3-2-4-15(19-14)20-10-9-17(22,11-20)12-5-7-13(18)8-6-12/h2-8,22H,9-11H2,1H3
InChIKeyRYTPXEGCHFPNKX-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate

methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 126806929) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID126806929
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namemethyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(O)(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H17FN2O3/c1-23-16(21)14-3-2-4-15(19-14)20-10-9-17(22,11-20)12-5-7-13(18)8-6-12/h2-8,22H,9-11H2,1H3
InChIKeyRYTPXEGCHFPNKX-UHFFFAOYSA-N
XLogP2.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate (CID 126806929) is methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate is COC(=O)c1cccc(N2CCC(O)(c3ccc(F)cc3)C2)n1.
What is the InChIKey of methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is RYTPXEGCHFPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-16(21)14-3-2-4-15(19-14)20-10-9-17(22,11-20)12-5-7-13(18)8-6-12/h2-8,22H,9-11H2,1H3.
What are the key properties of methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 316.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 126806929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).