1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide

C11H9ClN4O3 — CID 101076119

IUPAC1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide
SMILESNNC(=O)c1cccn1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c12-7-3-4-8(16(18)19)10(6-7)15-5-1-2-9(15)11(17)14-13/h1-6H,13H2,(H,14,17)
InChIKeyRZOKFVDWDUMHHX-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.64
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide

1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide (PubChem CID 101076119) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide
PubChem CID101076119
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide
SMILESNNC(=O)c1cccn1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c12-7-3-4-8(16(18)19)10(6-7)15-5-1-2-9(15)11(17)14-13/h1-6H,13H2,(H,14,17)
InChIKeyRZOKFVDWDUMHHX-UHFFFAOYSA-N
XLogP1.64
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-nitrophenyl)pyrrole-2-carboxamide
CID 172778071
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
CID 79580068
methyl 2-[[1-(2-nitrophenyl)pyrrole-2-carbonyl]amino]benzoate
CID 101355061
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
CID 3890485
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
ethyl 1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylate
CID 115472011
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381233
4-chloro-3-nitrobenzohydrazide
CID 3704353
1-[1-(5-chloro-2-nitrophenyl)azetidin-3-yl]ethanone
CID 90327098

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide (CID 101076119) is 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide is NNC(=O)c1cccn1-c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide?
The InChIKey is RZOKFVDWDUMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-7-3-4-8(16(18)19)10(6-7)15-5-1-2-9(15)11(17)14-13/h1-6H,13H2,(H,14,17).
What are the key properties of 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide?
1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide has a molecular weight of 280.67 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 101076119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).