N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine

C14H11N3O — CID 141180191

IUPACN-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C14H11N3O/c18-17-13(10-4-2-1-3-5-10)12-7-6-11-8-9-15-14(11)16-12/h1-9,18H,(H,15,16)
InChIKeyJXYRKDSVHBUYQE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.79
Rot. Bonds2

About N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine

N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine (PubChem CID 141180191) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine
PubChem CID141180191
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C14H11N3O/c18-17-13(10-4-2-1-3-5-10)12-7-6-11-8-9-15-14(11)16-12/h1-9,18H,(H,15,16)
InChIKeyJXYRKDSVHBUYQE-UHFFFAOYSA-N
XLogP2.79
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine?
The IUPAC name of N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine (CID 141180191) is N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine is ON=C(c1ccccc1)c1ccc2cc[nH]c2n1.
What is the InChIKey of N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine?
The InChIKey is JXYRKDSVHBUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-17-13(10-4-2-1-3-5-10)12-7-6-11-8-9-15-14(11)16-12/h1-9,18H,(H,15,16).
What are the key properties of N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine?
N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine has a molecular weight of 237.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 141180191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).