4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole

C14H10F2N2 — CID 114084739

IUPAC4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
SMILESFc1cncc(Cn2ccc3c(F)cccc32)c1
InChIInChI=1S/C14H10F2N2/c15-11-6-10(7-17-8-11)9-18-5-4-12-13(16)2-1-3-14(12)18/h1-8H,9H2
InChIKeyVIIHFJZKYRIKCH-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.36
Rot. Bonds2

About 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole

4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole (PubChem CID 114084739) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole.

Molecular Properties

Compound Name4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
PubChem CID114084739
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
SMILESFc1cncc(Cn2ccc3c(F)cccc32)c1
InChIInChI=1S/C14H10F2N2/c15-11-6-10(7-17-8-11)9-18-5-4-12-13(16)2-1-3-14(12)18/h1-8H,9H2
InChIKeyVIIHFJZKYRIKCH-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]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 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole?
The IUPAC name of 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole (CID 114084739) is 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole.
What is the SMILES notation for 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole?
The canonical SMILES for 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole is Fc1cncc(Cn2ccc3c(F)cccc32)c1.
What is the InChIKey of 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole?
The InChIKey is VIIHFJZKYRIKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c15-11-6-10(7-17-8-11)9-18-5-4-12-13(16)2-1-3-14(12)18/h1-8H,9H2.
What are the key properties of 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole?
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole has a molecular weight of 244.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole is sourced from PubChem (CID 114084739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).