1-chloro-3-nitrobenzene-6-ide;yttrium

C6H3ClNO2Y- — CID 156874573

IUPAC1-chloro-3-nitrobenzene-6-ide;yttrium
SMILESO=[N+]([O-])c1cc[c-]c(Cl)c1.[Y]
InChIInChI=1S/C6H3ClNO2.Y/c7-5-2-1-3-6(4-5)8(9)10;/h1,3-4H;/q-1;
InChIKeySKYFNUARHMSRJM-UHFFFAOYSA-N
MW245.45 g/mol
LogP2.05
Rot. Bonds1

About 1-chloro-3-nitrobenzene-6-ide;yttrium

1-chloro-3-nitrobenzene-6-ide;yttrium (PubChem CID 156874573) has the molecular formula C6H3ClNO2Y- and a molecular weight of 245.45 g/mol. Its IUPAC name is 1-chloro-3-nitrobenzene-6-ide;yttrium.

Molecular Properties

Compound Name1-chloro-3-nitrobenzene-6-ide;yttrium
PubChem CID156874573
Molecular FormulaC6H3ClNO2Y-
Molecular Weight245.45 g/mol
Exact Mass244.89
IUPAC Name1-chloro-3-nitrobenzene-6-ide;yttrium
SMILESO=[N+]([O-])c1cc[c-]c(Cl)c1.[Y]
InChIInChI=1S/C6H3ClNO2.Y/c7-5-2-1-3-6(4-5)8(9)10;/h1,3-4H;/q-1;
InChIKeySKYFNUARHMSRJM-UHFFFAOYSA-N
XLogP2.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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

1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
(2-chloro-4-nitrophenyl) nitrite
CID 174647913
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
potassium 2-chloro-4-nitrophenol
CID 71150199
bis((2-amino-4-nitrophenyl)azanium) dichloride
CID 139061859
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
CID 174796132
CID 174796132
4-nitropyridine;hydrate
CID 132647818
CID 70381437
CID 70381437
1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
CID 86632875
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-nitrobenzene-6-ide;yttrium?
The IUPAC name of 1-chloro-3-nitrobenzene-6-ide;yttrium (CID 156874573) is 1-chloro-3-nitrobenzene-6-ide;yttrium.
What is the SMILES notation for 1-chloro-3-nitrobenzene-6-ide;yttrium?
The canonical SMILES for 1-chloro-3-nitrobenzene-6-ide;yttrium is O=[N+]([O-])c1cc[c-]c(Cl)c1.[Y].
What is the InChIKey of 1-chloro-3-nitrobenzene-6-ide;yttrium?
The InChIKey is SKYFNUARHMSRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClNO2.Y/c7-5-2-1-3-6(4-5)8(9)10;/h1,3-4H;/q-1;.
What are the key properties of 1-chloro-3-nitrobenzene-6-ide;yttrium?
1-chloro-3-nitrobenzene-6-ide;yttrium has a molecular weight of 245.45 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-nitrobenzene-6-ide;yttrium is sourced from PubChem (CID 156874573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).