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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Related Compounds

Methyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-5-pyrrolidin-1-ylpyrrole-2-carboxylate
CID 10249125
3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
Methyl 3-(4-fluorophenyl)-1-methyl-5-morpholin-4-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419777
6-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-methylpyridine-2-carboxylic acid
CID 117614487
4-Methyl-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 162659936
6-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methylpyridine-2-carboxylic acid
CID 122181977
6-[3-[[2-(Trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 162653317
6-Methyl-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 162660272
US10513493, Example 24
CID 118301996
3-Isoquinolinecarboxylic acid, 4-phenyl-1-(1-pyrrolidinyl)-, methyl ester
CID 3061269

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).