ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate

C17H15FN2O2 — CID 69199163

IUPACethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(ccn2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-16-13(10-19-15)7-8-20(16)11-12-3-5-14(18)6-4-12/h3-10H,2,11H2,1H3
InChIKeyMFHUOFPHIIEDQB-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.40
Rot. Bonds4

About ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate

ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate (PubChem CID 69199163) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate
PubChem CID69199163
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Nameethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(ccn2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-16-13(10-19-15)7-8-20(16)11-12-3-5-14(18)6-4-12/h3-10H,2,11H2,1H3
InChIKeyMFHUOFPHIIEDQB-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate (CID 69199163) is ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1cc2c(ccn2Cc2ccc(F)cc2)cn1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate?
The InChIKey is MFHUOFPHIIEDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-22-17(21)15-9-16-13(10-19-15)7-8-20(16)11-12-3-5-14(18)6-4-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate?
ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 69199163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).