1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

C16H15N3O2 — CID 82888712

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCOc1cc(C)nc(Cn2cc(C=O)c3cccnc32)c1
InChIInChI=1S/C16H15N3O2/c1-11-6-14(21-2)7-13(18-11)9-19-8-12(10-20)15-4-3-5-17-16(15)19/h3-8,10H,9H2,1-2H3
InChIKeyLTXYKWIHRZKASU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.61
Rot. Bonds4

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 82888712) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID82888712
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCOc1cc(C)nc(Cn2cc(C=O)c3cccnc32)c1
InChIInChI=1S/C16H15N3O2/c1-11-6-14(21-2)7-13(18-11)9-19-8-12(10-20)15-4-3-5-17-16(15)19/h3-8,10H,9H2,1-2H3
InChIKeyLTXYKWIHRZKASU-UHFFFAOYSA-N
XLogP2.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 82888712) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is COc1cc(C)nc(Cn2cc(C=O)c3cccnc32)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is LTXYKWIHRZKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-14(21-2)7-13(18-11)9-19-8-12(10-20)15-4-3-5-17-16(15)19/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 281.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 82888712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).