methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate

C17H15FN2O2 — CID 162683698

IUPACmethyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccc(Cc3ccccc3F)nc2n1C
InChIInChI=1S/C17H15FN2O2/c1-20-15(17(21)22-2)10-12-7-8-13(19-16(12)20)9-11-5-3-4-6-14(11)18/h3-8,10H,9H2,1-2H3
InChIKeyXXBGNWALCSZBCQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.09
Rot. Bonds3

About methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate

methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 162683698) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID162683698
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Namemethyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccc(Cc3ccccc3F)nc2n1C
InChIInChI=1S/C17H15FN2O2/c1-20-15(17(21)22-2)10-12-7-8-13(19-16(12)20)9-11-5-3-4-6-14(11)18/h3-8,10H,9H2,1-2H3
InChIKeyXXBGNWALCSZBCQ-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-[[4-[2-[(2-fluorophenyl)methylcarbamoyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]pyrazol-1-yl]methyl] 1-O-methyl butanedioate
CID 178094813
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
4-O-[[4-[2-[(2-fluorophenyl)methylcarbamoyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]pyrazol-1-yl]methyl] 1-O-methyl (E)-but-2-enedioate
CID 178094835
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2-fluorophenyl)methyl]pyridine-4-carboxylate
CID 159589260
6-[1-(2,2-dimethylpropanoyl)pyrazol-4-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 178094824
6-[(E)-3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl]-N-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 177124707
methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997943
methyl 1-(2-chloroethyl)-3-(2-fluorophenyl)pyrazole-5-carboxylate
CID 170977529
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835080
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369728
methyl 4-amino-5-bromo-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 168911179

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate (CID 162683698) is methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2ccc(Cc3ccccc3F)nc2n1C.
What is the InChIKey of methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is XXBGNWALCSZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-15(17(21)22-2)10-12-7-8-13(19-16(12)20)9-11-5-3-4-6-14(11)18/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 162683698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).