N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine

C13H11ClN4O2 — CID 2798871

IUPACN-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine
SMILESCN(N=Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H11ClN4O2/c1-17(13-7-6-12(9-15-13)18(19)20)16-8-10-2-4-11(14)5-3-10/h2-9H,1H3
InChIKeyMDYMHATYIDCAOF-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.11
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine

N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine (PubChem CID 2798871) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine
PubChem CID2798871
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine
SMILESCN(N=Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H11ClN4O2/c1-17(13-7-6-12(9-15-13)18(19)20)16-8-10-2-4-11(14)5-3-10/h2-9H,1H3
InChIKeyMDYMHATYIDCAOF-UHFFFAOYSA-N
XLogP3.11
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 136897084
1-chloro-4-nitrobenzene;ethane
CID 90737802
N-[(4-chlorophenyl)methylidene]-4-nitrobenzenesulfonamide
CID 73088667
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
CID 70381437
CID 70381437
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide
CID 2742940
N',N'-dimethyl-N-[2-[methyl-(5-nitro-2-pyridinyl)amino]ethyl]ethane-1,2-diamine
CID 18335019
N-[(2R)-1-ethylsulfanylpropan-2-yl]-N-methyl-5-nitropyridin-2-amine
CID 95968534
2-chloro-5-nitropyridine;nitrous acid
CID 118129772

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine (CID 2798871) is N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine is CN(N=Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine?
The InChIKey is MDYMHATYIDCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-17(13-7-6-12(9-15-13)18(19)20)16-8-10-2-4-11(14)5-3-10/h2-9H,1H3.
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine?
N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine has a molecular weight of 290.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 2798871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).