4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol

C7H5ClN2O — CID 171482939

IUPAC4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol
SMILESOc1cnc(Cl)c2cc[nH]c12
InChIInChI=1S/C7H5ClN2O/c8-7-4-1-2-9-6(4)5(11)3-10-7/h1-3,9,11H
InChIKeySONVAIUWTPLMFT-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol

4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol (PubChem CID 171482939) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol.

Molecular Properties

Compound Name4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol
PubChem CID171482939
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol
SMILESOc1cnc(Cl)c2cc[nH]c12
InChIInChI=1S/C7H5ClN2O/c8-7-4-1-2-9-6(4)5(11)3-10-7/h1-3,9,11H
InChIKeySONVAIUWTPLMFT-UHFFFAOYSA-N
XLogP1.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol?
The IUPAC name of 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol (CID 171482939) is 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol.
What is the SMILES notation for 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol?
The canonical SMILES for 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol is Oc1cnc(Cl)c2cc[nH]c12.
What is the InChIKey of 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol?
The InChIKey is SONVAIUWTPLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-7-4-1-2-9-6(4)5(11)3-10-7/h1-3,9,11H.
What are the key properties of 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol?
4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol has a molecular weight of 168.58 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrrolo[3,2-c]pyridin-7-ol is sourced from PubChem (CID 171482939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).