2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde

C14H11NO4 — CID 57409655

IUPAC2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1cc2c(cc1O)[nH]c1cc(O)c(C=O)cc12
InChIInChI=1S/C14H11NO4/c1-19-14-3-9-8-2-7(6-16)12(17)4-10(8)15-11(9)5-13(14)18/h2-6,15,17-18H,1H3
InChIKeySSKMMRPVAASZHW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.55
Rot. Bonds2

About 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde

2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde (PubChem CID 57409655) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde
PubChem CID57409655
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1cc2c(cc1O)[nH]c1cc(O)c(C=O)cc12
InChIInChI=1S/C14H11NO4/c1-19-14-3-9-8-2-7(6-16)12(17)4-10(8)15-11(9)5-13(14)18/h2-6,15,17-18H,1H3
InChIKeySSKMMRPVAASZHW-UHFFFAOYSA-N
XLogP2.55
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde (CID 57409655) is 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde is COc1cc2c(cc1O)[nH]c1cc(O)c(C=O)cc12.
What is the InChIKey of 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is SSKMMRPVAASZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-14-3-9-8-2-7(6-16)12(17)4-10(8)15-11(9)5-13(14)18/h2-6,15,17-18H,1H3.
What are the key properties of 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde?
2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde has a molecular weight of 257.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxy-6-methoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 57409655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).