naphthalene-2-carboxylic acid;dihydrochloride

C11H10Cl2O2 — CID 70357946

IUPACnaphthalene-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.2ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,12,13);2*1H
InChIKeyLPWXNRMFRZHTJB-UHFFFAOYSA-N
MW245.11 g/mol
LogP3.38
Rot. Bonds1

About naphthalene-2-carboxylic acid;dihydrochloride

naphthalene-2-carboxylic acid;dihydrochloride (PubChem CID 70357946) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.11 g/mol. Its IUPAC name is naphthalene-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Namenaphthalene-2-carboxylic acid;dihydrochloride
PubChem CID70357946
Molecular FormulaC11H10Cl2O2
Molecular Weight245.11 g/mol
Exact Mass244.01
IUPAC Namenaphthalene-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.2ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,12,13);2*1H
InChIKeyLPWXNRMFRZHTJB-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67200510
CID 67200510
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CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
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Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carboxylic acid;dihydrochloride?
The IUPAC name of naphthalene-2-carboxylic acid;dihydrochloride (CID 70357946) is naphthalene-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for naphthalene-2-carboxylic acid;dihydrochloride?
The canonical SMILES for naphthalene-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carboxylic acid;dihydrochloride?
The InChIKey is LPWXNRMFRZHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.2ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,12,13);2*1H.
What are the key properties of naphthalene-2-carboxylic acid;dihydrochloride?
naphthalene-2-carboxylic acid;dihydrochloride has a molecular weight of 245.11 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 70357946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).