2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde

C16H14N2O2 — CID 87899514

IUPAC2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2cc3ccncc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-13-4-2-11(3-5-13)14(10-19)15-8-12-6-7-17-9-16(12)18-15/h2-10,14,18H,1H3
InChIKeyOXGKWDAYXWKHIO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde

2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde (PubChem CID 87899514) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde
PubChem CID87899514
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2cc3ccncc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-13-4-2-11(3-5-13)14(10-19)15-8-12-6-7-17-9-16(12)18-15/h2-10,14,18H,1H3
InChIKeyOXGKWDAYXWKHIO-UHFFFAOYSA-N
XLogP2.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde (CID 87899514) is 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde is COc1ccc(C(C=O)c2cc3ccncc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde?
The InChIKey is OXGKWDAYXWKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-13-4-2-11(3-5-13)14(10-19)15-8-12-6-7-17-9-16(12)18-15/h2-10,14,18H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde?
2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)acetaldehyde is sourced from PubChem (CID 87899514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).