naphthalene-2,6-dicarbonyl chloride

C12H6Cl2O2 — CID 3485596

IUPACnaphthalene-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2cc(C(=O)Cl)ccc2c1
InChIInChI=1S/C12H6Cl2O2/c13-11(15)9-3-1-7-5-10(12(14)16)4-2-8(7)6-9/h1-6H
InChIKeyNZZGQZMNFCTNAM-UHFFFAOYSA-N
MW253.08 g/mol
LogP3.60
Rot. Bonds2

About naphthalene-2,6-dicarbonyl chloride

naphthalene-2,6-dicarbonyl chloride (PubChem CID 3485596) has the molecular formula C12H6Cl2O2 and a molecular weight of 253.08 g/mol. Its IUPAC name is naphthalene-2,6-dicarbonyl chloride.

Molecular Properties

Compound Namenaphthalene-2,6-dicarbonyl chloride
PubChem CID3485596
Molecular FormulaC12H6Cl2O2
Molecular Weight253.08 g/mol
Exact Mass251.97
IUPAC Namenaphthalene-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2cc(C(=O)Cl)ccc2c1
InChIInChI=1S/C12H6Cl2O2/c13-11(15)9-3-1-7-5-10(12(14)16)4-2-8(7)6-9/h1-6H
InChIKeyNZZGQZMNFCTNAM-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-dicarbonyl chloride?
The IUPAC name of naphthalene-2,6-dicarbonyl chloride (CID 3485596) is naphthalene-2,6-dicarbonyl chloride.
What is the SMILES notation for naphthalene-2,6-dicarbonyl chloride?
The canonical SMILES for naphthalene-2,6-dicarbonyl chloride is O=C(Cl)c1ccc2cc(C(=O)Cl)ccc2c1.
What is the InChIKey of naphthalene-2,6-dicarbonyl chloride?
The InChIKey is NZZGQZMNFCTNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O2/c13-11(15)9-3-1-7-5-10(12(14)16)4-2-8(7)6-9/h1-6H.
What are the key properties of naphthalene-2,6-dicarbonyl chloride?
naphthalene-2,6-dicarbonyl chloride has a molecular weight of 253.08 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-dicarbonyl chloride is sourced from PubChem (CID 3485596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).