5-chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 — CID 14822070

IUPAC5-chloro-1H-pyrrolo[2,3-c]pyridine
SMILESClc1cc2cc[nH]c2cn1
InChIInChI=1S/C7H5ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H
InChIKeyXAIYMAHUJMVDHR-UHFFFAOYSA-N
MW152.58 g/mol
LogP2.22
Rot. Bonds

About 5-chloro-1H-pyrrolo[2,3-c]pyridine

5-chloro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 14822070) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 5-chloro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1H-pyrrolo[2,3-c]pyridine
PubChem CID14822070
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name5-chloro-1H-pyrrolo[2,3-c]pyridine
SMILESClc1cc2cc[nH]c2cn1
InChIInChI=1S/C7H5ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H
InChIKeyXAIYMAHUJMVDHR-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-chloro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1H-pyrrolo[2,3-c]pyridine (CID 14822070) is 5-chloro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1H-pyrrolo[2,3-c]pyridine is Clc1cc2cc[nH]c2cn1.
What is the InChIKey of 5-chloro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is XAIYMAHUJMVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H.
What are the key properties of 5-chloro-1H-pyrrolo[2,3-c]pyridine?
5-chloro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 152.58 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 14822070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).