1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde

C13H16N2O2 — CID 84695709

IUPAC1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2c(OC(C)(C)C)ccnc21
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-11-5-6-14-12-10(11)7-9(8-16)15(12)4/h5-8H,1-4H3
InChIKeyAWQLMTBYPWGFSZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.56
Rot. Bonds2

About 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde

1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 84695709) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID84695709
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2c(OC(C)(C)C)ccnc21
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-11-5-6-14-12-10(11)7-9(8-16)15(12)4/h5-8H,1-4H3
InChIKeyAWQLMTBYPWGFSZ-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 177354322
1,4-dimethylpyrrolo[2,3-d]imidazole-5-carbaldehyde
CID 84651560
7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 142705520
7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476014
4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 89112886
3,4-bis[(2-methylpropan-2-yl)oxy]pyridazine
CID 141165682
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde
CID 166475948
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
CID 84684645
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476022
3,5-bis[(2-methylpropan-2-yl)oxy]pyrazine-2-carbaldehyde
CID 86040616
tert-butyl N-[6-[2-(chloromethyl)-1-methylpyrrolo[2,3-b]pyridin-4-yl]pyridazin-3-yl]-N-methylcarbamate
CID 177353666

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 84695709) is 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde is Cn1c(C=O)cc2c(OC(C)(C)C)ccnc21.
What is the InChIKey of 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is AWQLMTBYPWGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)17-11-5-6-14-12-10(11)7-9(8-16)15(12)4/h5-8H,1-4H3.
What are the key properties of 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde?
1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 84695709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).