1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde

C10H7F3N2O — CID 105485170

IUPAC1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3N2O/c1-15-6(5-16)4-7-8(15)2-3-9(14-7)10(11,12)13/h2-5H,1H3
InChIKeyVMBFXODQOCHVSC-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde

1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde (PubChem CID 105485170) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
PubChem CID105485170
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3N2O/c1-15-6(5-16)4-7-8(15)2-3-9(14-7)10(11,12)13/h2-5H,1H3
InChIKeyVMBFXODQOCHVSC-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.40
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

5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130922748
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
5-(diethylamino)-1-methylindole-2-carbaldehyde
CID 105488256
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125451453
1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 172748006
5-(trifluoromethyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one
CID 166139012
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
CID 89105796

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde (CID 105485170) is 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde is Cn1c(C=O)cc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is VMBFXODQOCHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-15-6(5-16)4-7-8(15)2-3-9(14-7)10(11,12)13/h2-5H,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 228.17 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 105485170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).