pyridine;2-(trichloromethyl)-1H-pyrrole

C10H9Cl3N2 — CID 174822327

IUPACpyridine;2-(trichloromethyl)-1H-pyrrole
SMILESClC(Cl)(Cl)c1ccc[nH]1.c1ccncc1
InChIInChI=1S/C5H4Cl3N.C5H5N/c6-5(7,8)4-2-1-3-9-4;1-2-4-6-5-3-1/h1-3,9H;1-5H
InChIKeyTVXLRIWBMNLSHX-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.92
Rot. Bonds

About pyridine;2-(trichloromethyl)-1H-pyrrole

pyridine;2-(trichloromethyl)-1H-pyrrole (PubChem CID 174822327) has the molecular formula C10H9Cl3N2 and a molecular weight of 263.56 g/mol. Its IUPAC name is pyridine;2-(trichloromethyl)-1H-pyrrole.

Molecular Properties

Compound Namepyridine;2-(trichloromethyl)-1H-pyrrole
PubChem CID174822327
Molecular FormulaC10H9Cl3N2
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Namepyridine;2-(trichloromethyl)-1H-pyrrole
SMILESClC(Cl)(Cl)c1ccc[nH]1.c1ccncc1
InChIInChI=1S/C5H4Cl3N.C5H5N/c6-5(7,8)4-2-1-3-9-4;1-2-4-6-5-3-1/h1-3,9H;1-5H
InChIKeyTVXLRIWBMNLSHX-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine;2-(trichloromethyl)-1H-pyrrole?
The IUPAC name of pyridine;2-(trichloromethyl)-1H-pyrrole (CID 174822327) is pyridine;2-(trichloromethyl)-1H-pyrrole.
What is the SMILES notation for pyridine;2-(trichloromethyl)-1H-pyrrole?
The canonical SMILES for pyridine;2-(trichloromethyl)-1H-pyrrole is ClC(Cl)(Cl)c1ccc[nH]1.c1ccncc1.
What is the InChIKey of pyridine;2-(trichloromethyl)-1H-pyrrole?
The InChIKey is TVXLRIWBMNLSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3N.C5H5N/c6-5(7,8)4-2-1-3-9-4;1-2-4-6-5-3-1/h1-3,9H;1-5H.
What are the key properties of pyridine;2-(trichloromethyl)-1H-pyrrole?
pyridine;2-(trichloromethyl)-1H-pyrrole has a molecular weight of 263.56 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2-(trichloromethyl)-1H-pyrrole is sourced from PubChem (CID 174822327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).