2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol

C9H10ClNO2 — CID 172802612

IUPAC2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol
SMILESCC1(C)OC(O)c2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO2/c1-9(2)7-5(8(12)13-9)3-4-6(10)11-7/h3-4,8,12H,1-2H3
InChIKeyRBMOGWZSSNNUFD-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.99
Rot. Bonds

About 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol

2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol (PubChem CID 172802612) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol
PubChem CID172802612
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol
SMILESCC1(C)OC(O)c2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO2/c1-9(2)7-5(8(12)13-9)3-4-6(10)11-7/h3-4,8,12H,1-2H3
InChIKeyRBMOGWZSSNNUFD-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol 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 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol (CID 172802612) is 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol is CC1(C)OC(O)c2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol?
The InChIKey is RBMOGWZSSNNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-9(2)7-5(8(12)13-9)3-4-6(10)11-7/h3-4,8,12H,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol?
2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol has a molecular weight of 199.64 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 172802612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).