4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid

C16H13FN2O2 — CID 134312508

IUPAC4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCn1ccc2c(Cc3ccc(F)cc3)cc(C(=O)O)nc21
InChIInChI=1S/C16H13FN2O2/c1-19-7-6-13-11(8-10-2-4-12(17)5-3-10)9-14(16(20)21)18-15(13)19/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyUHZVSNPUHFGSKI-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.00
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid

4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid (PubChem CID 134312508) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
PubChem CID134312508
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCn1ccc2c(Cc3ccc(F)cc3)cc(C(=O)O)nc21
InChIInChI=1S/C16H13FN2O2/c1-19-7-6-13-11(8-10-2-4-12(17)5-3-10)9-14(16(20)21)18-15(13)19/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyUHZVSNPUHFGSKI-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid (CID 134312508) is 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid is Cn1ccc2c(Cc3ccc(F)cc3)cc(C(=O)O)nc21.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is UHZVSNPUHFGSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19-7-6-13-11(8-10-2-4-12(17)5-3-10)9-14(16(20)21)18-15(13)19/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 134312508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).