(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine

C14H11ClN2O — CID 138858059

IUPAC(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-13-6-3-11(4-7-13)5-8-14(17-18)12-2-1-9-16-10-12/h1-10,18H/b8-5+,17-14-
InChIKeyCSWIVRFWBFLYLI-URVPDRJCSA-N
MW258.71 g/mol
LogP3.63
Rot. Bonds3

About (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine (PubChem CID 138858059) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine
PubChem CID138858059
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-13-6-3-11(4-7-13)5-8-14(17-18)12-2-1-9-16-10-12/h1-10,18H/b8-5+,17-14-
InChIKeyCSWIVRFWBFLYLI-URVPDRJCSA-N
XLogP3.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.63
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-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580126
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine (CID 138858059) is (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine is O/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine?
The InChIKey is CSWIVRFWBFLYLI-URVPDRJCSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-6-3-11(4-7-13)5-8-14(17-18)12-2-1-9-16-10-12/h1-10,18H/b8-5+,17-14-.
What are the key properties of (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine has a molecular weight of 258.71 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 138858059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).