3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

C16H14N2O3 — CID 67838414

IUPAC3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2c(COCc3ccccc3)c[nH]c2cn1
InChIInChI=1S/C16H14N2O3/c19-16(20)14-6-13-12(7-17-15(13)8-18-14)10-21-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,19,20)
InChIKeyFEHPDTQYPMYJGC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.98
Rot. Bonds5

About 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 67838414) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID67838414
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2c(COCc3ccccc3)c[nH]c2cn1
InChIInChI=1S/C16H14N2O3/c19-16(20)14-6-13-12(7-17-15(13)8-18-14)10-21-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,19,20)
InChIKeyFEHPDTQYPMYJGC-UHFFFAOYSA-N
XLogP2.98
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 67838414) is 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is O=C(O)c1cc2c(COCc3ccccc3)c[nH]c2cn1.
What is the InChIKey of 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is FEHPDTQYPMYJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)14-6-13-12(7-17-15(13)8-18-14)10-21-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,19,20).
What are the key properties of 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 67838414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).