1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid

C12H14N2O2 — CID 90178300

IUPAC1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c2cnccc21
InChIInChI=1S/C12H14N2O2/c1-2-3-6-14-8-10(12(15)16)9-7-13-5-4-11(9)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyIOFIEAVEUNJTSH-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.53
Rot. Bonds4

About 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid

1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid (PubChem CID 90178300) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
PubChem CID90178300
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c2cnccc21
InChIInChI=1S/C12H14N2O2/c1-2-3-6-14-8-10(12(15)16)9-7-13-5-4-11(9)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16)
InChIKeyIOFIEAVEUNJTSH-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid (CID 90178300) is 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid is CCCCn1cc(C(=O)O)c2cnccc21.
What is the InChIKey of 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid?
The InChIKey is IOFIEAVEUNJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-6-14-8-10(12(15)16)9-7-13-5-4-11(9)14/h4-5,7-8H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid?
1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 90178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).