acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

C13H15Cl2N5O — CID 87308906

IUPACacetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCC(=O)Cl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C2H3ClO.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;/h1-7H,(H4,12,13,14);1H3;1H/b16-15+;;
InChIKeyCMWOPOAEFRYMSC-VRZXRVJBSA-N
MW328.20 g/mol
LogP3.85
Rot. Bonds2

About acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (PubChem CID 87308906) has the molecular formula C13H15Cl2N5O and a molecular weight of 328.20 g/mol. Its IUPAC name is acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Nameacetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
PubChem CID87308906
Molecular FormulaC13H15Cl2N5O
Molecular Weight328.20 g/mol
Exact Mass327.07
IUPAC Nameacetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCC(=O)Cl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C2H3ClO.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;/h1-7H,(H4,12,13,14);1H3;1H/b16-15+;;
InChIKeyCMWOPOAEFRYMSC-VRZXRVJBSA-N
XLogP3.85
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The IUPAC name of acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (CID 87308906) is acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The canonical SMILES for acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is CC(=O)Cl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The InChIKey is CMWOPOAEFRYMSC-VRZXRVJBSA-N. The full InChI is InChI=1S/C11H11N5.C2H3ClO.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;/h1-7H,(H4,12,13,14);1H3;1H/b16-15+;;.
What are the key properties of acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride has a molecular weight of 328.20 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 87308906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).