3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

C14H12FN3 — CID 653069

IUPAC3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESFc1cccc(NCc2cn3ccccc3n2)c1
InChIInChI=1S/C14H12FN3/c15-11-4-3-5-12(8-11)16-9-13-10-18-7-2-1-6-14(18)17-13/h1-8,10,16H,9H2
InChIKeyGVMHVUWEQLFKAJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.09
Rot. Bonds3

About 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (PubChem CID 653069) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
PubChem CID653069
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESFc1cccc(NCc2cn3ccccc3n2)c1
InChIInChI=1S/C14H12FN3/c15-11-4-3-5-12(8-11)16-9-13-10-18-7-2-1-6-14(18)17-13/h1-8,10,16H,9H2
InChIKeyGVMHVUWEQLFKAJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (CID 653069) is 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is Fc1cccc(NCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The InChIKey is GVMHVUWEQLFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-4-3-5-12(8-11)16-9-13-10-18-7-2-1-6-14(18)17-13/h1-8,10,16H,9H2.
What are the key properties of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline has a molecular weight of 241.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 653069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).