2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile

C10H6ClN5O2 — CID 169337608

IUPAC2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1Cl
InChIInChI=1S/C10H6ClN5O2/c1-6-2-10(16(17)18)9(3-8(6)11)15-14-7(4-12)5-13/h2-3,15H,1H3
InChIKeyXAOIBOOKGJDJMD-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.37
Rot. Bonds3

About 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337608) has the molecular formula C10H6ClN5O2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID169337608
Molecular FormulaC10H6ClN5O2
Molecular Weight263.64 g/mol
Exact Mass263.02
IUPAC Name2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1Cl
InChIInChI=1S/C10H6ClN5O2/c1-6-2-10(16(17)18)9(3-8(6)11)15-14-7(4-12)5-13/h2-3,15H,1H3
InChIKeyXAOIBOOKGJDJMD-UHFFFAOYSA-N
XLogP2.37
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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

2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169342003
2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]propanedinitrile
CID 56695479
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341455
2-[(2-chloro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337431
N-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340812
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
5-chloro-N-ethyl-4-methyl-2-nitroaniline
CID 174646786
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
2-[(2,2-dimethyl-7-nitrochromen-6-yl)hydrazinylidene]propanedinitrile
CID 169339232
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
1-N',3-N'-bis(4,5-dichloro-2-nitroanilino)propanediimidamide
CID 43834847

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile (CID 169337608) is 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile is Cc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is XAOIBOOKGJDJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2/c1-6-2-10(16(17)18)9(3-8(6)11)15-14-7(4-12)5-13/h2-3,15H,1H3.
What are the key properties of 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 263.64 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).