1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde

C9H8N2O — CID 82415580

IUPAC1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2cnccc21
InChIInChI=1S/C9H8N2O/c1-11-8(6-12)4-7-5-10-3-2-9(7)11/h2-6H,1H3
InChIKeyOHGSLAAXLOGMLK-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.39
Rot. Bonds1

About 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde

1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 82415580) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
PubChem CID82415580
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1c(C=O)cc2cnccc21
InChIInChI=1S/C9H8N2O/c1-11-8(6-12)4-7-5-10-3-2-9(7)11/h2-6H,1H3
InChIKeyOHGSLAAXLOGMLK-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.39
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-1H-indole-3-carbaldehyde
CID 87894
1-methyl-1H-indole-5-carbaldehyde
CID 7537534
2-(4-Fluorophenyl)-7-methyl-1,3-indolizinedicarboxaldehyde
CID 705660
10-Amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
CID 10012994
1-methyl-1H-indole-6-carbaldehyde
CID 14835679
1-Methylindole-2-carboxaldehyde
CID 267164
1-[7-(Morpholin-4-Yl)-1-(Pyridin-2-Yl)indolizin-3-Yl]ethanone
CID 70680607
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170
3-(4-Fluoro-benzoyl)-2-methyl-indolizine-1-carbaldehyde
CID 1991427
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde (CID 82415580) is 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde is Cn1c(C=O)cc2cnccc21.
What is the InChIKey of 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is OHGSLAAXLOGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-11-8(6-12)4-7-5-10-3-2-9(7)11/h2-6H,1H3.
What are the key properties of 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde?
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 82415580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).