N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine

C13H12N2O — CID 142575037

IUPACN-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(-c2ncccc2C=NO)cc1
InChIInChI=1S/C13H12N2O/c1-10-4-6-11(7-5-10)13-12(9-15-16)3-2-8-14-13/h2-9,16H,1H3
InChIKeyWBYQTCFZLWLKIG-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.87
Rot. Bonds2

About N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine

N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 142575037) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID142575037
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(-c2ncccc2C=NO)cc1
InChIInChI=1S/C13H12N2O/c1-10-4-6-11(7-5-10)13-12(9-15-16)3-2-8-14-13/h2-9,16H,1H3
InChIKeyWBYQTCFZLWLKIG-UHFFFAOYSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.87
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'}

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Related Compounds

(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine
CID 134168250
bis[2-(4-methylphenyl)-3-pyridinyl]methanone
CID 67746009
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 137218431
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955
2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
2-phenylpyridine-3-carbothialdehyde
CID 154490649
methyl 4-(3-ethenyl-2-pyridinyl)benzoate
CID 59725668
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989546
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine (CID 142575037) is N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine is Cc1ccc(-c2ncccc2C=NO)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is WBYQTCFZLWLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-4-6-11(7-5-10)13-12(9-15-16)3-2-8-14-13/h2-9,16H,1H3.
What are the key properties of N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine?
N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 212.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 142575037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).