5-chloro-1H-indole;pyridine

C13H11ClN2 — CID 175095575

IUPAC5-chloro-1H-indole;pyridine
SMILESClc1ccc2[nH]ccc2c1.c1ccncc1
InChIInChI=1S/C8H6ClN.C5H5N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-4-6-5-3-1/h1-5,10H;1-5H
InChIKeyILWKUSXRFQOFMR-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.90
Rot. Bonds

About 5-chloro-1H-indole;pyridine

5-chloro-1H-indole;pyridine (PubChem CID 175095575) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-1H-indole;pyridine.

Molecular Properties

Compound Name5-chloro-1H-indole;pyridine
PubChem CID175095575
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name5-chloro-1H-indole;pyridine
SMILESClc1ccc2[nH]ccc2c1.c1ccncc1
InChIInChI=1S/C8H6ClN.C5H5N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-4-6-5-3-1/h1-5,10H;1-5H
InChIKeyILWKUSXRFQOFMR-UHFFFAOYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole;pyridine?
The IUPAC name of 5-chloro-1H-indole;pyridine (CID 175095575) is 5-chloro-1H-indole;pyridine.
What is the SMILES notation for 5-chloro-1H-indole;pyridine?
The canonical SMILES for 5-chloro-1H-indole;pyridine is Clc1ccc2[nH]ccc2c1.c1ccncc1.
What is the InChIKey of 5-chloro-1H-indole;pyridine?
The InChIKey is ILWKUSXRFQOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN.C5H5N/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-4-6-5-3-1/h1-5,10H;1-5H.
What are the key properties of 5-chloro-1H-indole;pyridine?
5-chloro-1H-indole;pyridine has a molecular weight of 230.70 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole;pyridine is sourced from PubChem (CID 175095575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).