N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

C12H12ClN5O2 — CID 80919615

IUPACN-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN5O2/c13-9-3-1-2-8(6-9)7-15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,7,14H2,(H2,15,16,17)
InChIKeyIYYMAAZKHYFXCJ-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.54
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80919615) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80919615
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC NameN-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN5O2/c13-9-3-1-2-8(6-9)7-15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,7,14H2,(H2,15,16,17)
InChIKeyIYYMAAZKHYFXCJ-UHFFFAOYSA-N
XLogP2.54
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine 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

N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
[3-[[(6-chloro-3-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197113
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
CID 80923607
4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 43218103
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
N-[(3-chlorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 58707301
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
CID 80927069
6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
CID 80919528
5-[(3-chlorophenyl)methylamino]-2-nitrobenzoic acid
CID 45444222
3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide
CID 66934224
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (CID 80919615) is N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is NNc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is IYYMAAZKHYFXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c13-9-3-1-2-8(6-9)7-15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,7,14H2,(H2,15,16,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 293.71 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80919615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).