2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide

C9H10ClN3O3 — CID 9163671

IUPAC2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-12(2)11-9(14)7-5-6(13(15)16)3-4-8(7)10/h3-5H,1-2H3,(H,11,14)
InChIKeyLPEUZQKTDVVSQF-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.45
Rot. Bonds3

About 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide

2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide (PubChem CID 9163671) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide
PubChem CID9163671
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-12(2)11-9(14)7-5-6(13(15)16)3-4-8(7)10/h3-5H,1-2H3,(H,11,14)
InChIKeyLPEUZQKTDVVSQF-UHFFFAOYSA-N
XLogP1.45
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide (CID 9163671) is 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide is CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide?
The InChIKey is LPEUZQKTDVVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-12(2)11-9(14)7-5-6(13(15)16)3-4-8(7)10/h3-5H,1-2H3,(H,11,14).
What are the key properties of 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide?
2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide has a molecular weight of 243.65 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N',N'-dimethyl-5-nitrobenzohydrazide is sourced from PubChem (CID 9163671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).