2,5-dichloro-1H-pyrrole;pyridine

C9H8Cl2N2 — CID 174819836

IUPAC2,5-dichloro-1H-pyrrole;pyridine
SMILESClc1ccc(Cl)[nH]1.c1ccncc1
InChIInChI=1S/C5H5N.C4H3Cl2N/c1-2-4-6-5-3-1;5-3-1-2-4(6)7-3/h1-5H;1-2,7H
InChIKeyZWWQICAZKGPTBN-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.40
Rot. Bonds

About 2,5-dichloro-1H-pyrrole;pyridine

2,5-dichloro-1H-pyrrole;pyridine (PubChem CID 174819836) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 2,5-dichloro-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2,5-dichloro-1H-pyrrole;pyridine
PubChem CID174819836
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name2,5-dichloro-1H-pyrrole;pyridine
SMILESClc1ccc(Cl)[nH]1.c1ccncc1
InChIInChI=1S/C5H5N.C4H3Cl2N/c1-2-4-6-5-3-1;5-3-1-2-4(6)7-3/h1-5H;1-2,7H
InChIKeyZWWQICAZKGPTBN-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68793121

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1H-pyrrole;pyridine?
The IUPAC name of 2,5-dichloro-1H-pyrrole;pyridine (CID 174819836) is 2,5-dichloro-1H-pyrrole;pyridine.
What is the SMILES notation for 2,5-dichloro-1H-pyrrole;pyridine?
The canonical SMILES for 2,5-dichloro-1H-pyrrole;pyridine is Clc1ccc(Cl)[nH]1.c1ccncc1.
What is the InChIKey of 2,5-dichloro-1H-pyrrole;pyridine?
The InChIKey is ZWWQICAZKGPTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H3Cl2N/c1-2-4-6-5-3-1;5-3-1-2-4(6)7-3/h1-5H;1-2,7H.
What are the key properties of 2,5-dichloro-1H-pyrrole;pyridine?
2,5-dichloro-1H-pyrrole;pyridine has a molecular weight of 215.08 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1H-pyrrole;pyridine is sourced from PubChem (CID 174819836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).