chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol

C8H6Cl2N2O — CID 167286900

IUPACchloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
SMILESOC(Cl)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C8H6Cl2N2O/c9-5-2-11-3-7-4(5)1-6(12-7)8(10)13/h1-3,8,12-13H
InChIKeyLHVIKKAVFMYRRN-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.45
Rot. Bonds1

About chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol

chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol (PubChem CID 167286900) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol.

Molecular Properties

Compound Namechloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
PubChem CID167286900
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Namechloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
SMILESOC(Cl)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C8H6Cl2N2O/c9-5-2-11-3-7-4(5)1-6(12-7)8(10)13/h1-3,8,12-13H
InChIKeyLHVIKKAVFMYRRN-UHFFFAOYSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol?
The IUPAC name of chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol (CID 167286900) is chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol.
What is the SMILES notation for chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol?
The canonical SMILES for chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol is OC(Cl)c1cc2c(Cl)cncc2[nH]1.
What is the InChIKey of chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol?
The InChIKey is LHVIKKAVFMYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O/c9-5-2-11-3-7-4(5)1-6(12-7)8(10)13/h1-3,8,12-13H.
What are the key properties of chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol?
chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol has a molecular weight of 217.06 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol is sourced from PubChem (CID 167286900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).