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

C14H7Cl3N4O — CID 6252079

IUPAC2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N/N=C\c2ccccc2C=O)c(Cl)c1Cl
InChIInChI=1S/C14H7Cl3N4O/c15-11-10(5-18)13(17)20-14(12(11)16)21-19-6-8-3-1-2-4-9(8)7-22/h1-4,6-7H,(H,20,21)/b19-6-
InChIKeyICAOBSJEAOHKJS-SWNXQHNESA-N
MW353.60 g/mol
LogP4.17
Rot. Bonds4

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

2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (PubChem CID 6252079) has the molecular formula C14H7Cl3N4O and a molecular weight of 353.60 g/mol. Its IUPAC name is 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
PubChem CID6252079
Molecular FormulaC14H7Cl3N4O
Molecular Weight353.60 g/mol
Exact Mass351.97
IUPAC Name2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N/N=C\c2ccccc2C=O)c(Cl)c1Cl
InChIInChI=1S/C14H7Cl3N4O/c15-11-10(5-18)13(17)20-14(12(11)16)21-19-6-8-3-1-2-4-9(8)7-22/h1-4,6-7H,(H,20,21)/b19-6-
InChIKeyICAOBSJEAOHKJS-SWNXQHNESA-N
XLogP4.17
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

2,4,5-trichloro-6-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
CID 6067427
2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde
CID 138493752
2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
1-phenyl-1-[(3,4,6-trichloro-5-cyano-2-pyridinyl)amino]thiourea
CID 22308112
6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 135504515
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
2-[2-[(4-chloro-2,3-difluorophenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168573667
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695
2-chloro-5-[2-[[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168573441

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (CID 6252079) is 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is N#Cc1c(Cl)nc(N/N=C\c2ccccc2C=O)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The InChIKey is ICAOBSJEAOHKJS-SWNXQHNESA-N. The full InChI is InChI=1S/C14H7Cl3N4O/c15-11-10(5-18)13(17)20-14(12(11)16)21-19-6-8-3-1-2-4-9(8)7-22/h1-4,6-7H,(H,20,21)/b19-6-.
What are the key properties of 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile has a molecular weight of 353.60 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-[(2Z)-2-[(2-formylphenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 6252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).