(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine

C14H9BrFN3O — CID 71625366

IUPAC(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H9BrFN3O/c15-10-3-6-13-18-14(9-1-4-11(16)5-2-9)12(7-17-20)19(13)8-10/h1-8,20H/b17-7+
InChIKeyMVVSSXAUTKOOQW-REZTVBANSA-N
MW334.15 g/mol
LogP3.71
Rot. Bonds2

About (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine

(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine (PubChem CID 71625366) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine
PubChem CID71625366
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H9BrFN3O/c15-10-3-6-13-18-14(9-1-4-11(16)5-2-9)12(7-17-20)19(13)8-10/h1-8,20H/b17-7+
InChIKeyMVVSSXAUTKOOQW-REZTVBANSA-N
XLogP3.71
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine (CID 71625366) is (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine is O/N=C/c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.
What is the InChIKey of (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine?
The InChIKey is MVVSSXAUTKOOQW-REZTVBANSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-3-6-13-18-14(9-1-4-11(16)5-2-9)12(7-17-20)19(13)8-10/h1-8,20H/b17-7+.
What are the key properties of (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine?
(NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine has a molecular weight of 334.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 71625366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).