N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C12H12ClN5O3 — CID 107623697

IUPACN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H12ClN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyFNSNPWOZJDSRPH-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.68
Rot. Bonds5

About N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 107623697) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID107623697
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC NameN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H12ClN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyFNSNPWOZJDSRPH-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'}

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
N-(4-chloro-3-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107623718
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418
2-N-(3-bromo-4-chlorophenyl)-3-nitropyridine-2,6-diamine
CID 80855442
6-N-methyl-3-nitro-2-N-(2,4,5-trichlorophenyl)pyridine-2,6-diamine
CID 80748177
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693
N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 107623692
6-chloro-N-(3-methoxy-4-nitrophenyl)pyrimidin-4-amine
CID 169224624
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 107623697) is N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is COc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is FNSNPWOZJDSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 107623697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).