N-(6-chloro-3-nitro-2-pyridinyl)methanimine

C6H4ClN3O2 — CID 20671936

IUPACN-(6-chloro-3-nitro-2-pyridinyl)methanimine
SMILESC=Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClN3O2/c1-8-6-4(10(11)12)2-3-5(7)9-6/h2-3H,1H2
InChIKeyMGBXPQLJCJTYDC-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.98
Rot. Bonds2

About N-(6-chloro-3-nitro-2-pyridinyl)methanimine

N-(6-chloro-3-nitro-2-pyridinyl)methanimine (PubChem CID 20671936) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)methanimine
PubChem CID20671936
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)methanimine
SMILESC=Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClN3O2/c1-8-6-4(10(11)12)2-3-5(7)9-6/h2-3H,1H2
InChIKeyMGBXPQLJCJTYDC-UHFFFAOYSA-N
XLogP1.98
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

6-chloro-2-iodo-3-nitropyridine
CID 130882718
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
CID 23568379
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 43500336
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-3-nitro-2-propylpyridine
CID 20822926
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)methanimine?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)methanimine (CID 20671936) is N-(6-chloro-3-nitro-2-pyridinyl)methanimine.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)methanimine?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)methanimine is C=Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)methanimine?
The InChIKey is MGBXPQLJCJTYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c1-8-6-4(10(11)12)2-3-5(7)9-6/h2-3H,1H2.
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)methanimine?
N-(6-chloro-3-nitro-2-pyridinyl)methanimine has a molecular weight of 185.57 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)methanimine is sourced from PubChem (CID 20671936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).