4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde

C15H12N2O2 — CID 171137827

IUPAC4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(OCc3ccccc3)ccnc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-9-12-8-13-14(6-7-16-15(13)17-12)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyMCFBTBCDVNWQHW-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.95
Rot. Bonds4

About 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde

4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 171137827) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID171137827
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(OCc3ccccc3)ccnc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-9-12-8-13-14(6-7-16-15(13)17-12)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyMCFBTBCDVNWQHW-UHFFFAOYSA-N
XLogP2.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
4-phenylmethoxyquinoline
CID 11299312
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 71302995
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-phenylmethoxy-1H-pyrrole-2-carbaldehyde
CID 15619177
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
8-phenylmethoxy-1H-pyrido[2,3-b]pyrazin-2-one
CID 68606557
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 171137827) is 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2c(OCc3ccccc3)ccnc2[nH]1.
What is the InChIKey of 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is MCFBTBCDVNWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-9-12-8-13-14(6-7-16-15(13)17-12)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde?
4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 171137827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).