(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde

C16H10ClNO4 — CID 102365605

IUPAC(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(Cl)ccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClNO4/c17-13-3-6-15-11(8-13)7-12(9-19)16(22-15)10-1-4-14(5-2-10)18(20)21/h1-9,16H/t16-/m1/s1
InChIKeyQDOMVQQCILBKBF-MRXNPFEDSA-N
MW315.71 g/mol
LogP3.96
Rot. Bonds3

About (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde

(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde (PubChem CID 102365605) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
PubChem CID102365605
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(Cl)ccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClNO4/c17-13-3-6-15-11(8-13)7-12(9-19)16(22-15)10-1-4-14(5-2-10)18(20)21/h1-9,16H/t16-/m1/s1
InChIKeyQDOMVQQCILBKBF-MRXNPFEDSA-N
XLogP3.96
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.96
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'}

Analyze (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde?
The IUPAC name of (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde (CID 102365605) is (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde.
What is the SMILES notation for (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde?
The canonical SMILES for (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde is O=CC1=Cc2cc(Cl)ccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde?
The InChIKey is QDOMVQQCILBKBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-13-3-6-15-11(8-13)7-12(9-19)16(22-15)10-1-4-14(5-2-10)18(20)21/h1-9,16H/t16-/m1/s1.
What are the key properties of (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde?
(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde has a molecular weight of 315.71 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 102365605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).