8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride

C10H6ClN5O4 — CID 25007818

IUPAC8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2nn[nH]n2)oc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C10H5N5O4.ClH/c16-7-4-8(10-11-13-14-12-10)19-9-5(7)2-1-3-6(9)15(17)18;/h1-4H,(H,11,12,13,14);1H
InChIKeyFLGHYVOBERBJFJ-UHFFFAOYSA-N
MW295.64 g/mol
LogP1.30
Rot. Bonds2

About 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride

8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride (PubChem CID 25007818) has the molecular formula C10H6ClN5O4 and a molecular weight of 295.64 g/mol. Its IUPAC name is 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
PubChem CID25007818
Molecular FormulaC10H6ClN5O4
Molecular Weight295.64 g/mol
Exact Mass295.01
IUPAC Name8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2nn[nH]n2)oc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C10H5N5O4.ClH/c16-7-4-8(10-11-13-14-12-10)19-9-5(7)2-1-3-6(9)15(17)18;/h1-4H,(H,11,12,13,14);1H
InChIKeyFLGHYVOBERBJFJ-UHFFFAOYSA-N
XLogP1.30
TPSA127.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.64
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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8-[(E)-2-[4-[4-(4-fluorophenyl)butoxy]phenyl]ethenyl]-2-(2H-tetrazol-5-yl)chromen-4-one
CID 10322977
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2-[2-(4-nitrophenyl)-4-oxochromen-8-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride?
The IUPAC name of 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride (CID 25007818) is 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride.
What is the SMILES notation for 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride?
The canonical SMILES for 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride is Cl.O=c1cc(-c2nn[nH]n2)oc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride?
The InChIKey is FLGHYVOBERBJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O4.ClH/c16-7-4-8(10-11-13-14-12-10)19-9-5(7)2-1-3-6(9)15(17)18;/h1-4H,(H,11,12,13,14);1H.
What are the key properties of 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride?
8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride has a molecular weight of 295.64 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride is sourced from PubChem (CID 25007818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).