(2R)-6-nitro-2H-chromen-2-ol

C9H7NO4 — CID 99907030

IUPAC(2R)-6-nitro-2H-chromen-2-ol
SMILESO=[N+]([O-])c1ccc2c(c1)C=C[C@H](O)O2
InChIInChI=1S/C9H7NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5,9,11H/t9-/m1/s1
InChIKeyIYQSCDIACCQSKZ-SECBINFHSA-N
MW193.16 g/mol
LogP1.32
Rot. Bonds1

About (2R)-6-nitro-2H-chromen-2-ol

(2R)-6-nitro-2H-chromen-2-ol (PubChem CID 99907030) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2R)-6-nitro-2H-chromen-2-ol.

Molecular Properties

Compound Name(2R)-6-nitro-2H-chromen-2-ol
PubChem CID99907030
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name(2R)-6-nitro-2H-chromen-2-ol
SMILESO=[N+]([O-])c1ccc2c(c1)C=C[C@H](O)O2
InChIInChI=1S/C9H7NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5,9,11H/t9-/m1/s1
InChIKeyIYQSCDIACCQSKZ-SECBINFHSA-N
XLogP1.32
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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3-ethylsulfonyl-5-nitro-2,3-dihydro-1-benzofuran-2-ol
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6-nitro-2H-chromene-3-carbaldehyde
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2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
CID 174756922
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-ol
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3,6-dinitro-9H-xanthene
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(3R,4S)-4-(dimethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-6-nitro-2H-chromen-2-ol?
The IUPAC name of (2R)-6-nitro-2H-chromen-2-ol (CID 99907030) is (2R)-6-nitro-2H-chromen-2-ol.
What is the SMILES notation for (2R)-6-nitro-2H-chromen-2-ol?
The canonical SMILES for (2R)-6-nitro-2H-chromen-2-ol is O=[N+]([O-])c1ccc2c(c1)C=C[C@H](O)O2.
What is the InChIKey of (2R)-6-nitro-2H-chromen-2-ol?
The InChIKey is IYQSCDIACCQSKZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H7NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5,9,11H/t9-/m1/s1.
What are the key properties of (2R)-6-nitro-2H-chromen-2-ol?
(2R)-6-nitro-2H-chromen-2-ol has a molecular weight of 193.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-nitro-2H-chromen-2-ol is sourced from PubChem (CID 99907030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).