ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate

C18H19FN2O2 — CID 39820595

IUPACethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC[C@@H](c3ccccc3F)C2)nc1
InChIInChI=1S/C18H19FN2O2/c1-2-23-18(22)13-7-8-17(20-11-13)21-10-9-14(12-21)15-5-3-4-6-16(15)19/h3-8,11,14H,2,9-10,12H2,1H3/t14-/m1/s1
InChIKeyZSSWUFJHAMSWOO-CQSZACIVSA-N
MW314.36 g/mol
LogP3.39
Rot. Bonds4

About ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate

ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 39820595) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID39820595
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Nameethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC[C@@H](c3ccccc3F)C2)nc1
InChIInChI=1S/C18H19FN2O2/c1-2-23-18(22)13-7-8-17(20-11-13)21-10-9-14(12-21)15-5-3-4-6-16(15)19/h3-8,11,14H,2,9-10,12H2,1H3/t14-/m1/s1
InChIKeyZSSWUFJHAMSWOO-CQSZACIVSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270
ethyl 6-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775769
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 59785799
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565
ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506
ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
CID 133390714

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate (CID 39820595) is ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CC[C@@H](c3ccccc3F)C2)nc1.
What is the InChIKey of ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is ZSSWUFJHAMSWOO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-23-18(22)13-7-8-17(20-11-13)21-10-9-14(12-21)15-5-3-4-6-16(15)19/h3-8,11,14H,2,9-10,12H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate?
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 39820595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).