5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine

C8H8FN3 — CID 167269509

IUPAC5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESCNc1c(F)ncc2[nH]ccc12
InChIInChI=1S/C8H8FN3/c1-10-7-5-2-3-11-6(5)4-12-8(7)9/h2-4,10-11H,1H3
InChIKeyXEIBRMCWGXGCTE-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.74
Rot. Bonds1

About 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine

5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine (PubChem CID 167269509) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
PubChem CID167269509
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESCNc1c(F)ncc2[nH]ccc12
InChIInChI=1S/C8H8FN3/c1-10-7-5-2-3-11-6(5)4-12-8(7)9/h2-4,10-11H,1H3
InChIKeyXEIBRMCWGXGCTE-UHFFFAOYSA-N
XLogP1.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine 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 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine (CID 167269509) is 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine is CNc1c(F)ncc2[nH]ccc12.
What is the InChIKey of 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The InChIKey is XEIBRMCWGXGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-10-7-5-2-3-11-6(5)4-12-8(7)9/h2-4,10-11H,1H3.
What are the key properties of 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine has a molecular weight of 165.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine is sourced from PubChem (CID 167269509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).