1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C12H14N2O — CID 84670724

IUPAC1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)c1c(C=O)c2cccnc2n1C
InChIInChI=1S/C12H14N2O/c1-8(2)11-10(7-15)9-5-4-6-13-12(9)14(11)3/h4-8H,1-3H3
InChIKeyPMCYUJYNLVLUPW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.51
Rot. Bonds2

About 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde

1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 84670724) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID84670724
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)c1c(C=O)c2cccnc2n1C
InChIInChI=1S/C12H14N2O/c1-8(2)11-10(7-15)9-5-4-6-13-12(9)14(11)3/h4-8H,1-3H3
InChIKeyPMCYUJYNLVLUPW-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84671774
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488
9-methylpyrido[2,3-b]indole
CID 12596580
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 171544275
4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde
CID 139636127
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
2-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 59754755
N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide
CID 142114011
1-naphthalen-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 71426832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 84670724) is 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is CC(C)c1c(C=O)c2cccnc2n1C.
What is the InChIKey of 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is PMCYUJYNLVLUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)11-10(7-15)9-5-4-6-13-12(9)14(11)3/h4-8H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 84670724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).