5,8-difluoro-9H-pyrido[2,3-b]indole

C11H6F2N2 — CID 42611843

IUPAC5,8-difluoro-9H-pyrido[2,3-b]indole
SMILESFc1ccc(F)c2c1[nH]c1ncccc12
InChIInChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15)
InChIKeyYCKKSCAWZSAPAL-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.99
Rot. Bonds

About 5,8-difluoro-9H-pyrido[2,3-b]indole

5,8-difluoro-9H-pyrido[2,3-b]indole (PubChem CID 42611843) has the molecular formula C11H6F2N2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5,8-difluoro-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5,8-difluoro-9H-pyrido[2,3-b]indole
PubChem CID42611843
Molecular FormulaC11H6F2N2
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name5,8-difluoro-9H-pyrido[2,3-b]indole
SMILESFc1ccc(F)c2c1[nH]c1ncccc12
InChIInChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15)
InChIKeyYCKKSCAWZSAPAL-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,8-difluoro-9H-pyrido[2,3-b]indole 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 5,8-difluoro-9H-pyrido[2,3-b]indole?
The IUPAC name of 5,8-difluoro-9H-pyrido[2,3-b]indole (CID 42611843) is 5,8-difluoro-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5,8-difluoro-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5,8-difluoro-9H-pyrido[2,3-b]indole is Fc1ccc(F)c2c1[nH]c1ncccc12.
What is the InChIKey of 5,8-difluoro-9H-pyrido[2,3-b]indole?
The InChIKey is YCKKSCAWZSAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15).
What are the key properties of 5,8-difluoro-9H-pyrido[2,3-b]indole?
5,8-difluoro-9H-pyrido[2,3-b]indole has a molecular weight of 204.18 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 42611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).