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

C18H15FN2O2 — CID 59988422

IUPACmethyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)cn1C
InChIInChI=1S/C18H15FN2O2/c1-21-11-15(12-3-5-14(19)6-4-12)16(17(21)18(22)23-2)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKeyYREBHCKNVSYGAO-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.68
Rot. Bonds3

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

methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate (PubChem CID 59988422) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate
PubChem CID59988422
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Namemethyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)cn1C
InChIInChI=1S/C18H15FN2O2/c1-21-11-15(12-3-5-14(19)6-4-12)16(17(21)18(22)23-2)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKeyYREBHCKNVSYGAO-UHFFFAOYSA-N
XLogP3.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-isoquinolinecarboxylate
CID 725374
Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate
CID 363114
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate (CID 59988422) is methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)cn1C.
What is the InChIKey of methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate?
The InChIKey is YREBHCKNVSYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-21-11-15(12-3-5-14(19)6-4-12)16(17(21)18(22)23-2)13-7-9-20-10-8-13/h3-11H,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate?
methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 59988422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).