2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine

C8H5Cl3N2 — CID 135080607

IUPAC2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1c(Cl)c(Cl)c2c(Cl)nccc21
InChIInChI=1S/C8H5Cl3N2/c1-13-4-2-3-12-7(10)5(4)6(9)8(13)11/h2-3H,1H3
InChIKeyQPRVZVKLUVFWLA-UHFFFAOYSA-N
MW235.50 g/mol
LogP3.53
Rot. Bonds

About 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine

2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 135080607) has the molecular formula C8H5Cl3N2 and a molecular weight of 235.50 g/mol. Its IUPAC name is 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine
PubChem CID135080607
Molecular FormulaC8H5Cl3N2
Molecular Weight235.50 g/mol
Exact Mass233.95
IUPAC Name2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1c(Cl)c(Cl)c2c(Cl)nccc21
InChIInChI=1S/C8H5Cl3N2/c1-13-4-2-3-12-7(10)5(4)6(9)8(13)11/h2-3H,1H3
InChIKeyQPRVZVKLUVFWLA-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.50
LogP ≤ 53.53
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 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine (CID 135080607) is 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine is Cn1c(Cl)c(Cl)c2c(Cl)nccc21.
What is the InChIKey of 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is QPRVZVKLUVFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3N2/c1-13-4-2-3-12-7(10)5(4)6(9)8(13)11/h2-3H,1H3.
What are the key properties of 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine?
2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 235.50 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 135080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).