naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde

C20H14N2O2 — CID 141407917

IUPACnaphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1.O=Cc1ccc2cccnc2n1
InChIInChI=1S/C11H8O.C9H6N2O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-8H;1-6H
InChIKeyVISHJHDGOUQJED-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.09
Rot. Bonds2

About naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde

naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde (PubChem CID 141407917) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Namenaphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde
PubChem CID141407917
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Namenaphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1.O=Cc1ccc2cccnc2n1
InChIInChI=1S/C11H8O.C9H6N2O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-8H;1-6H
InChIKeyVISHJHDGOUQJED-UHFFFAOYSA-N
XLogP4.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
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 naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde?
The IUPAC name of naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde (CID 141407917) is naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde.
What is the SMILES notation for naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde?
The canonical SMILES for naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde is O=Cc1ccc2ccccc2c1.O=Cc1ccc2cccnc2n1.
What is the InChIKey of naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde?
The InChIKey is VISHJHDGOUQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O.C9H6N2O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-8H;1-6H.
What are the key properties of naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde?
naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde has a molecular weight of 314.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carbaldehyde;1,8-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 141407917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).