2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine

C15H10Cl2N2 — CID 139752285

IUPAC2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESClc1cccc(-c2[nH]c(Cl)cc2-c2ccccn2)c1
InChIInChI=1S/C15H10Cl2N2/c16-11-5-3-4-10(8-11)15-12(9-14(17)19-15)13-6-1-2-7-18-13/h1-9,19H
InChIKeyGQYMSUDCTKIQOO-UHFFFAOYSA-N
MW289.17 g/mol
LogP5.05
Rot. Bonds2

About 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine

2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine (PubChem CID 139752285) has the molecular formula C15H10Cl2N2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine
PubChem CID139752285
Molecular FormulaC15H10Cl2N2
Molecular Weight289.17 g/mol
Exact Mass288.02
IUPAC Name2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESClc1cccc(-c2[nH]c(Cl)cc2-c2ccccn2)c1
InChIInChI=1S/C15H10Cl2N2/c16-11-5-3-4-10(8-11)15-12(9-14(17)19-15)13-6-1-2-7-18-13/h1-9,19H
InChIKeyGQYMSUDCTKIQOO-UHFFFAOYSA-N
XLogP5.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.17
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine (CID 139752285) is 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine is Clc1cccc(-c2[nH]c(Cl)cc2-c2ccccn2)c1.
What is the InChIKey of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is GQYMSUDCTKIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2/c16-11-5-3-4-10(8-11)15-12(9-14(17)19-15)13-6-1-2-7-18-13/h1-9,19H.
What are the key properties of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 289.17 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 139752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).