6-nitro-2H-chromene-3-carbaldehyde

C10H7NO4 — CID 16769718

IUPAC6-nitro-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc([N+](=O)[O-])ccc2OC1
InChIInChI=1S/C10H7NO4/c12-5-7-3-8-4-9(11(13)14)1-2-10(8)15-6-7/h1-5H,6H2
InChIKeyFEXRMMUUHRVHJT-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.57
Rot. Bonds2

About 6-nitro-2H-chromene-3-carbaldehyde

6-nitro-2H-chromene-3-carbaldehyde (PubChem CID 16769718) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-nitro-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-nitro-2H-chromene-3-carbaldehyde
PubChem CID16769718
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name6-nitro-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc([N+](=O)[O-])ccc2OC1
InChIInChI=1S/C10H7NO4/c12-5-7-3-8-4-9(11(13)14)1-2-10(8)15-6-7/h1-5H,6H2
InChIKeyFEXRMMUUHRVHJT-UHFFFAOYSA-N
XLogP1.57
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
6-hexoxy-2H-chromene-3-carbaldehyde
CID 14971262
(3-formyl-2H-chromen-7-yl) methanesulfonate
CID 58439077
7-nitro-4,5-dihydro-1,4-benzoxazepin-3-one
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9-nitro-3,4,5,6-tetrahydro-2H-1,7-benzodioxonine
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10-nitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 15048232
29-nitro-2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene
CID 14294030
7-nitro-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
CID 86032903
6-nitro-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 59397335
(2R)-6-nitro-2H-chromen-2-ol
CID 99907030
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
8-nitro-4H-pyrrolo[2,1-c][1,4]benzoxazine
CID 59410519

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2H-chromene-3-carbaldehyde?
The IUPAC name of 6-nitro-2H-chromene-3-carbaldehyde (CID 16769718) is 6-nitro-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 6-nitro-2H-chromene-3-carbaldehyde?
The canonical SMILES for 6-nitro-2H-chromene-3-carbaldehyde is O=CC1=Cc2cc([N+](=O)[O-])ccc2OC1.
What is the InChIKey of 6-nitro-2H-chromene-3-carbaldehyde?
The InChIKey is FEXRMMUUHRVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-5-7-3-8-4-9(11(13)14)1-2-10(8)15-6-7/h1-5H,6H2.
What are the key properties of 6-nitro-2H-chromene-3-carbaldehyde?
6-nitro-2H-chromene-3-carbaldehyde has a molecular weight of 205.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 16769718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).