N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide

C16H10N2O6 — CID 792576

IUPACN-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C16H10N2O6/c19-12-3-1-2-10(8-12)17-15(20)13-7-9-6-11(18(22)23)4-5-14(9)24-16(13)21/h1-8,19H,(H,17,20)
InChIKeyRWBBHPGEZFMGPP-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.66
Rot. Bonds3

About N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide

N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide (PubChem CID 792576) has the molecular formula C16H10N2O6 and a molecular weight of 326.26 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
PubChem CID792576
Molecular FormulaC16H10N2O6
Molecular Weight326.26 g/mol
Exact Mass326.05
IUPAC NameN-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C16H10N2O6/c19-12-3-1-2-10(8-12)17-15(20)13-7-9-6-11(18(22)23)4-5-14(9)24-16(13)21/h1-8,19H,(H,17,20)
InChIKeyRWBBHPGEZFMGPP-UHFFFAOYSA-N
XLogP2.66
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
N-(3,4-dichlorophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 1111848
4-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 6971912
N-(2,4-dibromophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 21210385
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
6-nitro-2-oxochromene-3-carbonyl chloride
CID 12764546
6-bromo-N-[4-[(4-nitrophenyl)diazenyl]phenyl]-2-oxochromene-3-carboxamide
CID 21240129
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
methyl 4-methyl-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 1247170
N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide (CID 792576) is N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide is O=C(Nc1cccc(O)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O.
What is the InChIKey of N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide?
The InChIKey is RWBBHPGEZFMGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O6/c19-12-3-1-2-10(8-12)17-15(20)13-7-9-6-11(18(22)23)4-5-14(9)24-16(13)21/h1-8,19H,(H,17,20).
What are the key properties of N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide?
N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide has a molecular weight of 326.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 792576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).