(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine

C6H5ClN2O — CID 137006992

IUPAC(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccn1
InChIInChI=1S/C6H5ClN2O/c7-5-1-2-8-6(3-5)4-9-10/h1-4,10H/b9-4+
InChIKeyHYQVDSLAEBPRJV-RUDMXATFSA-N
MW156.57 g/mol
LogP1.54
Rot. Bonds1

About (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 137006992) has the molecular formula C6H5ClN2O and a molecular weight of 156.57 g/mol. Its IUPAC name is (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
PubChem CID137006992
Molecular FormulaC6H5ClN2O
Molecular Weight156.57 g/mol
Exact Mass156.01
IUPAC Name(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccn1
InChIInChI=1S/C6H5ClN2O/c7-5-1-2-8-6(3-5)4-9-10/h1-4,10H/b9-4+
InChIKeyHYQVDSLAEBPRJV-RUDMXATFSA-N
XLogP1.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 51.54
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

N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
CID 146317492
3-(4-chloro-2-pyridinyl)prop-2-ene-1-thiol
CID 169454603
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine
CID 73410829
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
CID 136952913
N-[(4-chlorofuro[3,2-c]pyridin-2-yl)methylidene]hydroxylamine
CID 170999745
N-[(6-chloroquinolin-8-yl)methylidene]hydroxylamine
CID 131870785
(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
CID 136728703

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine (CID 137006992) is (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccn1.
What is the InChIKey of (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is HYQVDSLAEBPRJV-RUDMXATFSA-N. The full InChI is InChI=1S/C6H5ClN2O/c7-5-1-2-8-6(3-5)4-9-10/h1-4,10H/b9-4+.
What are the key properties of (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 156.57 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).