N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine

C9H7N3O — CID 137241662

IUPACN-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine
SMILESON=Cc1ccc2ccncc2n1
InChIInChI=1S/C9H7N3O/c13-11-5-8-2-1-7-3-4-10-6-9(7)12-8/h1-6,13H
InChIKeyMMMQUUKDDWSHRB-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.44
Rot. Bonds1

About N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine

N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine (PubChem CID 137241662) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine
PubChem CID137241662
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC NameN-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine
SMILESON=Cc1ccc2ccncc2n1
InChIInChI=1S/C9H7N3O/c13-11-5-8-2-1-7-3-4-10-6-9(7)12-8/h1-6,13H
InChIKeyMMMQUUKDDWSHRB-UHFFFAOYSA-N
XLogP1.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.44
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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Related Compounds

N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
2-chloro-1,7-naphthyridine
CID 20696625
ethane;methane;2-methyl-1,7-naphthyridine
CID 144748838
4-[(Z)-hydroxyiminomethyl]pyridin-3-ol
CID 137194969
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
CID 136952913
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
2,9-phenanthroline
CID 23271029
pyrido[3,4-b]pyrazine-2-carbaldehyde
CID 151212996

Frequently Asked Questions

What is the IUPAC name of N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine?
The IUPAC name of N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine (CID 137241662) is N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine is ON=Cc1ccc2ccncc2n1.
What is the InChIKey of N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine?
The InChIKey is MMMQUUKDDWSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-11-5-8-2-1-7-3-4-10-6-9(7)12-8/h1-6,13H.
What are the key properties of N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine?
N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine has a molecular weight of 173.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 137241662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).