(2-chloro-4-isocyano-5-methylphenyl)hydrazine

C8H8ClN3 — CID 54475806

IUPAC(2-chloro-4-isocyano-5-methylphenyl)hydrazine
SMILES[C-]#[N+]c1cc(Cl)c(NN)cc1C
InChIInChI=1S/C8H8ClN3/c1-5-3-8(12-10)6(9)4-7(5)11-2/h3-4,12H,10H2,1H3
InChIKeyUBNFYEBAMRDTIG-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.48
Rot. Bonds1

About (2-chloro-4-isocyano-5-methylphenyl)hydrazine

(2-chloro-4-isocyano-5-methylphenyl)hydrazine (PubChem CID 54475806) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is (2-chloro-4-isocyano-5-methylphenyl)hydrazine.

Molecular Properties

Compound Name(2-chloro-4-isocyano-5-methylphenyl)hydrazine
PubChem CID54475806
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name(2-chloro-4-isocyano-5-methylphenyl)hydrazine
SMILES[C-]#[N+]c1cc(Cl)c(NN)cc1C
InChIInChI=1S/C8H8ClN3/c1-5-3-8(12-10)6(9)4-7(5)11-2/h3-4,12H,10H2,1H3
InChIKeyUBNFYEBAMRDTIG-UHFFFAOYSA-N
XLogP2.48
TPSA42.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-chloro-5-isocyano-4-methylbenzene
CID 167421152
1-isocyano-2,4,5-trimethylbenzene
CID 161386679
(2,4,5-trichlorophenyl)hydrazine
CID 1381942
(4-bromo-2,5-dichlorophenyl)hydrazine
CID 3474185
1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine
CID 59937440
1-chloro-2-isocyano-4-methylbenzene
CID 58134369
tert-butyl 3-(2-chloro-4-isocyano-5-methylphenyl)propanoate
CID 59377332
phosphoric acid;(2,4,5-trichlorophenyl)hydrazine
CID 138619519
(2,4-dichlorophenyl)hydrazine;methane
CID 54772277
methyl 2,4-dichloro-5-hydrazinylbenzoate
CID 57422972
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
2,5-dichloro-3-isocyano-6-(2-methylphenyl)pyridine
CID 153292369

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-isocyano-5-methylphenyl)hydrazine?
The IUPAC name of (2-chloro-4-isocyano-5-methylphenyl)hydrazine (CID 54475806) is (2-chloro-4-isocyano-5-methylphenyl)hydrazine.
What is the SMILES notation for (2-chloro-4-isocyano-5-methylphenyl)hydrazine?
The canonical SMILES for (2-chloro-4-isocyano-5-methylphenyl)hydrazine is [C-]#[N+]c1cc(Cl)c(NN)cc1C.
What is the InChIKey of (2-chloro-4-isocyano-5-methylphenyl)hydrazine?
The InChIKey is UBNFYEBAMRDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-3-8(12-10)6(9)4-7(5)11-2/h3-4,12H,10H2,1H3.
What are the key properties of (2-chloro-4-isocyano-5-methylphenyl)hydrazine?
(2-chloro-4-isocyano-5-methylphenyl)hydrazine has a molecular weight of 181.63 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-isocyano-5-methylphenyl)hydrazine is sourced from PubChem (CID 54475806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).