2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile

C14H8Cl3N5O3 — CID 6067427

IUPAC2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOc1ccc(/C=N\Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl3N5O3/c1-25-10-3-2-7(4-9(10)22(23)24)6-19-21-14-12(16)11(15)8(5-18)13(17)20-14/h2-4,6H,1H3,(H,20,21)/b19-6-
InChIKeyQUCCLKJZTWKLNY-SWNXQHNESA-N
MW400.61 g/mol
LogP4.28
Rot. Bonds5

About 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile

2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (PubChem CID 6067427) has the molecular formula C14H8Cl3N5O3 and a molecular weight of 400.61 g/mol. Its IUPAC name is 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
PubChem CID6067427
Molecular FormulaC14H8Cl3N5O3
Molecular Weight400.61 g/mol
Exact Mass398.97
IUPAC Name2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOc1ccc(/C=N\Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl3N5O3/c1-25-10-3-2-7(4-9(10)22(23)24)6-19-21-14-12(16)11(15)8(5-18)13(17)20-14/h2-4,6H,1H3,(H,20,21)/b19-6-
InChIKeyQUCCLKJZTWKLNY-SWNXQHNESA-N
XLogP4.28
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787874
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
CID 169383316
4-(3,4-dimethoxyphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110531574
2-[(2Z)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135641089
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110531573

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (CID 6067427) is 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is COc1ccc(/C=N\Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The InChIKey is QUCCLKJZTWKLNY-SWNXQHNESA-N. The full InChI is InChI=1S/C14H8Cl3N5O3/c1-25-10-3-2-7(4-9(10)22(23)24)6-19-21-14-12(16)11(15)8(5-18)13(17)20-14/h2-4,6H,1H3,(H,20,21)/b19-6-.
What are the key properties of 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile has a molecular weight of 400.61 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 6067427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).