lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide

C16H15LiN2O2 — CID 18741360

IUPAClithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide
SMILESCOc1nccc2[c-]cn(COCc3ccccc3)c12.[Li+]
InChIInChI=1S/C16H15N2O2.Li/c1-19-16-15-14(7-9-17-16)8-10-18(15)12-20-11-13-5-3-2-4-6-13;/h2-7,9-10H,11-12H2,1H3;/q-1;+1
InChIKeyIBLNNQSCIOQHDO-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.02
Rot. Bonds5

About lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide

lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide (PubChem CID 18741360) has the molecular formula C16H15LiN2O2 and a molecular weight of 274.25 g/mol. Its IUPAC name is lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide.

Molecular Properties

Compound Namelithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide
PubChem CID18741360
Molecular FormulaC16H15LiN2O2
Molecular Weight274.25 g/mol
Exact Mass274.13
IUPAC Namelithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide
SMILESCOc1nccc2[c-]cn(COCc3ccccc3)c12.[Li+]
InChIInChI=1S/C16H15N2O2.Li/c1-19-16-15-14(7-9-17-16)8-10-18(15)12-20-11-13-5-3-2-4-6-13;/h2-7,9-10H,11-12H2,1H3;/q-1;+1
InChIKeyIBLNNQSCIOQHDO-UHFFFAOYSA-N
XLogP0.02
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
CID 76850860
2-(hydroxymethyl)-2-[[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-methylamino]propane-1,3-diol
CID 67024006
6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
CID 73292795
(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol
CID 118446192
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
1-(phenylmethoxymethyl)pyrazin-2-one
CID 130538606
ethane;phenylmethoxymethylbenzene
CID 90943549
7-benzyl-2-chloro-6-methoxypurine
CID 132556247
3-[(1S,3S,4S)-4-ethyl-2,3-bis(phenylmethoxy)cyclopentyl]-7-methoxy-1-(phenylmethoxymethyl)pyrrolo[3,2-b]pyridine
CID 174111139
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740
5-methyl-1-(phenylmethoxymethyl)indole
CID 102940732
N-benzyl-3-chloro-2-methoxy-N-methylpyridin-4-amine
CID 154946976

Frequently Asked Questions

What is the IUPAC name of lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide?
The IUPAC name of lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide (CID 18741360) is lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide.
What is the SMILES notation for lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide?
The canonical SMILES for lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide is COc1nccc2[c-]cn(COCc3ccccc3)c12.[Li+].
What is the InChIKey of lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide?
The InChIKey is IBLNNQSCIOQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O2.Li/c1-19-16-15-14(7-9-17-16)8-10-18(15)12-20-11-13-5-3-2-4-6-13;/h2-7,9-10H,11-12H2,1H3;/q-1;+1.
What are the key properties of lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide?
lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide has a molecular weight of 274.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide is sourced from PubChem (CID 18741360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).