iodo-(N-methyl-4-nitroanilino)azanide

C7H7IN3O2- — CID 163783585

IUPACiodo-(N-methyl-4-nitroanilino)azanide
SMILESCN([N-]I)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7IN3O2/c1-10(9-8)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3/q-1
InChIKeyUKYAPNIBVPIAFI-UHFFFAOYSA-N
MW292.06 g/mol
LogP2.67
Rot. Bonds3

About iodo-(N-methyl-4-nitroanilino)azanide

iodo-(N-methyl-4-nitroanilino)azanide (PubChem CID 163783585) has the molecular formula C7H7IN3O2- and a molecular weight of 292.06 g/mol. Its IUPAC name is iodo-(N-methyl-4-nitroanilino)azanide.

Molecular Properties

Compound Nameiodo-(N-methyl-4-nitroanilino)azanide
PubChem CID163783585
Molecular FormulaC7H7IN3O2-
Molecular Weight292.06 g/mol
Exact Mass291.96
IUPAC Nameiodo-(N-methyl-4-nitroanilino)azanide
SMILESCN([N-]I)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7IN3O2/c1-10(9-8)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3/q-1
InChIKeyUKYAPNIBVPIAFI-UHFFFAOYSA-N
XLogP2.67
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-methyl-4-nitro-N-phenylaniline
CID 11287619
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
N-methyl-4-nitro-N-prop-2-enylaniline
CID 19702684
N,N-dichloro-4-nitroaniline;molecular nitrogen
CID 174775109
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
N-tert-butyl-N-chloro-4-nitroaniline
CID 134996236
N-methyl-4-nitro-N-phenylsulfanylaniline
CID 11097305
N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
CID 126549261
2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
CID 89352542
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
bis(4-nitrophenyl)carbamic acid
CID 20515803
CID 59711141
CID 59711141

Frequently Asked Questions

What is the IUPAC name of iodo-(N-methyl-4-nitroanilino)azanide?
The IUPAC name of iodo-(N-methyl-4-nitroanilino)azanide (CID 163783585) is iodo-(N-methyl-4-nitroanilino)azanide.
What is the SMILES notation for iodo-(N-methyl-4-nitroanilino)azanide?
The canonical SMILES for iodo-(N-methyl-4-nitroanilino)azanide is CN([N-]I)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of iodo-(N-methyl-4-nitroanilino)azanide?
The InChIKey is UKYAPNIBVPIAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN3O2/c1-10(9-8)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3/q-1.
What are the key properties of iodo-(N-methyl-4-nitroanilino)azanide?
iodo-(N-methyl-4-nitroanilino)azanide has a molecular weight of 292.06 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-(N-methyl-4-nitroanilino)azanide is sourced from PubChem (CID 163783585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).