N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine

C12H9ClN2O — CID 142699149

IUPACN-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
SMILESON=C(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-10-5-3-4-9(8-10)12(15-16)11-6-1-2-7-14-11/h1-8,16H
InChIKeyOOLVGRJUBWSADH-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.96
Rot. Bonds2

About N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine

N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine (PubChem CID 142699149) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
PubChem CID142699149
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC NameN-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
SMILESON=C(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-10-5-3-4-9(8-10)12(15-16)11-6-1-2-7-14-11/h1-8,16H
InChIKeyOOLVGRJUBWSADH-UHFFFAOYSA-N
XLogP2.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
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'}

Analyze N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
(NZ)-N-[(4-chloro-2-pyridinyl)-phenylmethylidene]hydroxylamine
CID 137298443
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821
N-[pyridin-2-yl(pyridin-3-yl)methylidene]hydroxylamine
CID 137225687
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
[(3-bromophenyl)-pyridin-2-ylmethylidene]hydrazine
CID 131874594
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
CID 18763102
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine (CID 142699149) is N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The canonical SMILES for N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine is ON=C(c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The InChIKey is OOLVGRJUBWSADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-5-3-4-9(8-10)12(15-16)11-6-1-2-7-14-11/h1-8,16H.
What are the key properties of N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine?
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine has a molecular weight of 232.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine is sourced from PubChem (CID 142699149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).