Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate

Name: Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₅FN₂O₂ — CID 127025998

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate

SMILESCOC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1

InChIInChI=1S/C20H15FN2O2/c1-25-20(24)14-10-17-16-4-2-3-5-18(16)23(19(17)22-11-14)12-13-6-8-15(21)9-7-13/h2-11H,12H2,1H3

InChIKeyMMMPPRKCXFGSIV-UHFFFAOYSA-N

MW334.35 g/mol

LogP4.16

Rot. Bonds3

About Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate

Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate (PubChem CID 127025998) has the molecular formula C₂₀H₁₅FN₂O₂ and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Name	Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
PubChem CID	127025998
Molecular Formula	C₂₀H₁₅FN₂O₂
Molecular Weight	334.35 g/mol
Exact Mass	334.11
IUPAC Name	methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
SMILES	COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1
InChI	InChI=1S/C20H15FN2O2/c1-25-20(24)14-10-17-16-4-2-3-5-18(16)23(19(17)22-11-14)12-13-6-8-15(21)9-7-13/h2-11H,12H2,1H3
InChIKey	MMMPPRKCXFGSIV-UHFFFAOYSA-N
XLogP	4.16
TPSA	44.12 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.35
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?

The IUPAC name of Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate (CID 127025998) is methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate.

What is the SMILES notation for Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?

The canonical SMILES for Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate is COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1.

What is the InChIKey of Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?

The InChIKey is MMMPPRKCXFGSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-25-20(24)14-10-17-16-4-2-3-5-18(16)23(19(17)22-11-14)12-13-6-8-15(21)9-7-13/h2-11H,12H2,1H3.

What are the key properties of Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?

Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 127025998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 127025998 — identifiers, structure, computed properties (public domain)

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