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

C14H12FN3O — CID 104831461

IUPAC3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
SMILESNc1cccc(F)c1OCc1cn2ccccc2n1
InChIInChI=1S/C14H12FN3O/c15-11-4-3-5-12(16)14(11)19-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9,16H2
InChIKeyHSWFCTMXFUFSTK-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.63
Rot. Bonds3

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

3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline (PubChem CID 104831461) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
PubChem CID104831461
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
SMILESNc1cccc(F)c1OCc1cn2ccccc2n1
InChIInChI=1S/C14H12FN3O/c15-11-4-3-5-12(16)14(11)19-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9,16H2
InChIKeyHSWFCTMXFUFSTK-UHFFFAOYSA-N
XLogP2.63
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 107497897
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
CID 107739058
3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
CID 61391322
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
2-[(1-bromonaphthalen-2-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 1184382
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The IUPAC name of 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline (CID 104831461) is 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline is Nc1cccc(F)c1OCc1cn2ccccc2n1.
What is the InChIKey of 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The InChIKey is HSWFCTMXFUFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-4-3-5-12(16)14(11)19-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9,16H2.
What are the key properties of 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline has a molecular weight of 257.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 104831461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).