[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene

C17H15N5O3 — CID 170921731

IUPAC[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
SMILESCOc1ccc(-n2cccc2C/N=N/c2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H15N5O3/c1-25-16-7-4-13(5-8-16)21-10-2-3-14(21)12-19-20-17-9-6-15(11-18-17)22(23)24/h2-11H,12H2,1H3/b20-19+
InChIKeyKCZNVXLWEHMKJN-FMQUCBEESA-N
MW337.34 g/mol
LogP4.07
Rot. Bonds6

About [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene

[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene (PubChem CID 170921731) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
PubChem CID170921731
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
SMILESCOc1ccc(-n2cccc2C/N=N/c2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H15N5O3/c1-25-16-7-4-13(5-8-16)21-10-2-3-14(21)12-19-20-17-9-6-15(11-18-17)22(23)24/h2-11H,12H2,1H3/b20-19+
InChIKeyKCZNVXLWEHMKJN-FMQUCBEESA-N
XLogP4.07
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
CID 91897591
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[[1-(4-nitrophenyl)pyrrol-2-yl]methyl]diazene
CID 91501256
[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170922180
[1-(4-nitrophenyl)pyrrol-2-yl]methanol
CID 894394
(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
CID 54157550
1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
CID 170921733
N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide
CID 20614337
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
CID 175518370
2-isothiocyanato-5-nitropyridine
CID 12866943
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The IUPAC name of [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene (CID 170921731) is [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The canonical SMILES for [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene is COc1ccc(-n2cccc2C/N=N/c2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The InChIKey is KCZNVXLWEHMKJN-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N5O3/c1-25-16-7-4-13(5-8-16)21-10-2-3-14(21)12-19-20-17-9-6-15(11-18-17)22(23)24/h2-11H,12H2,1H3/b20-19+.
What are the key properties of [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene?
[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene has a molecular weight of 337.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene is sourced from PubChem (CID 170921731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).