2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline

C14H11FN4O2 — CID 36783664

IUPAC2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(F)c1
InChIInChI=1S/C14H11FN4O2/c15-12-7-11(19(20)21)4-5-13(12)16-8-10-9-18-6-2-1-3-14(18)17-10/h1-7,9,16H,8H2
InChIKeyNGCHXPMHGHUTQA-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.99
Rot. Bonds4

About 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline

2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline (PubChem CID 36783664) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
PubChem CID36783664
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(F)c1
InChIInChI=1S/C14H11FN4O2/c15-12-7-11(19(20)21)4-5-13(12)16-8-10-9-18-6-2-1-3-14(18)17-10/h1-7,9,16H,8H2
InChIKeyNGCHXPMHGHUTQA-UHFFFAOYSA-N
XLogP2.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline?
The IUPAC name of 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline (CID 36783664) is 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline?
The canonical SMILES for 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline is O=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline?
The InChIKey is NGCHXPMHGHUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-12-7-11(19(20)21)4-5-13(12)16-8-10-9-18-6-2-1-3-14(18)17-10/h1-7,9,16H,8H2.
What are the key properties of 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline?
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline has a molecular weight of 286.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline is sourced from PubChem (CID 36783664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).