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

C14H10BrN3O — CID 71625365

IUPAC(NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H10BrN3O/c15-11-6-7-13-17-14(10-4-2-1-3-5-10)12(8-16-19)18(13)9-11/h1-9,19H/b16-8+
InChIKeyCYGSMVIWLAQINQ-LZYBPNLTSA-N
MW316.16 g/mol
LogP3.57
Rot. Bonds2

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

(NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine (PubChem CID 71625365) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine
PubChem CID71625365
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name(NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine
SMILESO/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H10BrN3O/c15-11-6-7-13-17-14(10-4-2-1-3-5-10)12(8-16-19)18(13)9-11/h1-9,19H/b16-8+
InChIKeyCYGSMVIWLAQINQ-LZYBPNLTSA-N
XLogP3.57
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.57
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-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine (CID 71625365) is (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine is O/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine?
The InChIKey is CYGSMVIWLAQINQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-6-7-13-17-14(10-4-2-1-3-5-10)12(8-16-19)18(13)9-11/h1-9,19H/b16-8+.
What are the key properties of (NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine?
(NE)-N-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine has a molecular weight of 316.16 g/mol, XLogP of 3.57, 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-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 71625365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).