5-chloro-1-methylpyrrolo[2,3-c]pyridine

C8H7ClN2 — CID 90025089

IUPAC5-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1ccc2cc(Cl)ncc21
InChIInChI=1S/C8H7ClN2/c1-11-3-2-6-4-8(9)10-5-7(6)11/h2-5H,1H3
InChIKeyGRWHITPBGNEHFX-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.23
Rot. Bonds

About 5-chloro-1-methylpyrrolo[2,3-c]pyridine

5-chloro-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 90025089) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 5-chloro-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-methylpyrrolo[2,3-c]pyridine
PubChem CID90025089
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name5-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1ccc2cc(Cl)ncc21
InChIInChI=1S/C8H7ClN2/c1-11-3-2-6-4-8(9)10-5-7(6)11/h2-5H,1H3
InChIKeyGRWHITPBGNEHFX-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-methylpyrrolo[2,3-c]pyridine (CID 90025089) is 5-chloro-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-methylpyrrolo[2,3-c]pyridine is Cn1ccc2cc(Cl)ncc21.
What is the InChIKey of 5-chloro-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is GRWHITPBGNEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-11-3-2-6-4-8(9)10-5-7(6)11/h2-5H,1H3.
What are the key properties of 5-chloro-1-methylpyrrolo[2,3-c]pyridine?
5-chloro-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90025089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).