methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate

C19H17FN2O3 — CID 59988429

IUPACmethyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCO
InChIInChI=1S/C19H17FN2O3/c1-25-19(24)18-17(14-2-4-15(20)5-3-14)16(12-22(18)10-11-23)13-6-8-21-9-7-13/h2-9,12,23H,10-11H2,1H3
InChIKeyGBMPIVQESNEYTD-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.14
Rot. Bonds5

About methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate

methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988429) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988429
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namemethyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCO
InChIInChI=1S/C19H17FN2O3/c1-25-19(24)18-17(14-2-4-15(20)5-3-14)16(12-22(18)10-11-23)13-6-8-21-9-7-13/h2-9,12,23H,10-11H2,1H3
InChIKeyGBMPIVQESNEYTD-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-isoquinolinecarboxylate
CID 725374
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
3-(4-Fluorophenyl)-1-methyl-4-(4-pyridinyl)-5-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419781
Methyl 3-(4-fluorophenyl)-1-methyl-5-(piperidin-4-ylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419782
Methyl 5-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419787
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419791
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate (CID 59988429) is methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1CCO.
What is the InChIKey of methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is GBMPIVQESNEYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-25-19(24)18-17(14-2-4-15(20)5-3-14)16(12-22(18)10-11-23)13-6-8-21-9-7-13/h2-9,12,23H,10-11H2,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate?
methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).