N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C12H12ClN5O3 — CID 80912402

IUPACN-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN5O3/c1-21-10-4-2-7(13)6-8(10)15-12-9(18(19)20)3-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyQGMNWKPJRQRTBY-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.68
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80912402) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80912402
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN5O3/c1-21-10-4-2-7(13)6-8(10)15-12-9(18(19)20)3-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyQGMNWKPJRQRTBY-UHFFFAOYSA-N
XLogP2.68
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(5-chloro-2-methoxyphenyl)-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

4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107623697
2-N-(5-chloro-2-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80780190
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
CID 80911480
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
N-(5-chloro-2-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80912403
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
4-N-(5-chloro-2-methoxyphenyl)-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23484726
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 80912402) is N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is COc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is QGMNWKPJRQRTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c1-21-10-4-2-7(13)6-8(10)15-12-9(18(19)20)3-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 309.71 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80912402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).