4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile

C12H9ClN6O2 — CID 80908944

IUPAC4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN6O2/c13-8-2-1-7(6-14)9(5-8)16-12-10(19(20)21)3-4-11(17-12)18-15/h1-5H,15H2,(H2,16,17,18)
InChIKeyBDNFKLRMIZSNIQ-UHFFFAOYSA-N
MW304.70 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile

4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile (PubChem CID 80908944) has the molecular formula C12H9ClN6O2 and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
PubChem CID80908944
Molecular FormulaC12H9ClN6O2
Molecular Weight304.70 g/mol
Exact Mass304.05
IUPAC Name4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN6O2/c13-8-2-1-7(6-14)9(5-8)16-12-10(19(20)21)3-4-11(17-12)18-15/h1-5H,15H2,(H2,16,17,18)
InChIKeyBDNFKLRMIZSNIQ-UHFFFAOYSA-N
XLogP2.54
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 52.54
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-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
4-bromo-2-[(6-chloro-3-nitro-2-pyridinyl)amino]benzonitrile
CID 107800069
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
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418
4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80915904
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80919615
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile (CID 80908944) is 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile is N#Cc1ccc(Cl)cc1Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The InChIKey is BDNFKLRMIZSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O2/c13-8-2-1-7(6-14)9(5-8)16-12-10(19(20)21)3-4-11(17-12)18-15/h1-5H,15H2,(H2,16,17,18).
What are the key properties of 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile has a molecular weight of 304.70 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 80908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).