2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium

C16H19ClN3O+ — CID 7038310

IUPAC2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium
SMILESC[NH+](C)CCO/N=C(/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)10-11-21-19-16(14-4-3-9-18-12-14)13-5-7-15(17)8-6-13/h3-9,12H,10-11H2,1-2H3/p+1/b19-16-
InChIKeyMHGGJIQRTDFCBC-MNDPQUGUSA-O
MW304.80 g/mol
LogP1.65
Rot. Bonds6

About 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium

2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium (PubChem CID 7038310) has the molecular formula C16H19ClN3O+ and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium
PubChem CID7038310
Molecular FormulaC16H19ClN3O+
Molecular Weight304.80 g/mol
Exact Mass304.12
IUPAC Name2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium
SMILESC[NH+](C)CCO/N=C(/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)10-11-21-19-16(14-4-3-9-18-12-14)13-5-7-15(17)8-6-13/h3-9,12H,10-11H2,1-2H3/p+1/b19-16-
InChIKeyMHGGJIQRTDFCBC-MNDPQUGUSA-O
XLogP1.65
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
CID 173361449
2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxy-N,N-dimethylethanamine;oxalic acid
CID 73449275
(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 23724221
N,N-diethyl-2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxyethanamine;oxalic acid
CID 73449276
1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
CID 173361338
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
CID 173361328
2-[3-[3-[[phenyl(pyridin-3-yl)methylidene]amino]oxypropyl]phenoxy]acetic acid
CID 54181595
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium?
The IUPAC name of 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium (CID 7038310) is 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium.
What is the SMILES notation for 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium?
The canonical SMILES for 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium is C[NH+](C)CCO/N=C(/c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium?
The InChIKey is MHGGJIQRTDFCBC-MNDPQUGUSA-O. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)10-11-21-19-16(14-4-3-9-18-12-14)13-5-7-15(17)8-6-13/h3-9,12H,10-11H2,1-2H3/p+1/b19-16-.
What are the key properties of 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium?
2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium has a molecular weight of 304.80 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium is sourced from PubChem (CID 7038310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).