(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide

C9H8ClN5O2 — CID 136866805

IUPAC(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1/[nH]ccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)
InChIKeyTYLCDJYHUVCRBH-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.01
Rot. Bonds3

About (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide

(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide (PubChem CID 136866805) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide
PubChem CID136866805
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1/[nH]ccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)
InChIKeyTYLCDJYHUVCRBH-UHFFFAOYSA-N
XLogP1.01
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nitenpyram
CID 3034287
Imidacloprid
CID 86287518
Imidacloprid-olefin
CID 14626249
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
Desnitro-imidacloprid
CID 10130527
Imidacloprid urea
CID 15390532
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 86418
Acetamiprid metabolite (IM-1-5)
CID 19967186
Pyridine, 2-chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-
CID 6506573
1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CID 183033
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
(Z)-N-(1-((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide
CID 135541675

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide (CID 136866805) is (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide is O=[N+]([O-])/N=c1/[nH]ccn1Cc1ccc(Cl)nc1.
What is the InChIKey of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide?
The InChIKey is TYLCDJYHUVCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13).
What are the key properties of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide?
(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide has a molecular weight of 253.65 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide is sourced from PubChem (CID 136866805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).