8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride

C16H12Cl3NO2 — CID 158967424

IUPAC8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)C(c1c(Cl)cncc1Cl)=CCC2
InChIInChI=1S/C16H11Cl2NO2.ClH/c17-13-7-19-8-14(18)15(13)11-3-1-2-9-4-5-10(16(20)21)6-12(9)11;/h3-8H,1-2H2,(H,20,21);1H
InChIKeyUMKGTKUFDRDGCB-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.89
Rot. Bonds2

About 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride

8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 158967424) has the molecular formula C16H12Cl3NO2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID158967424
Molecular FormulaC16H12Cl3NO2
Molecular Weight356.64 g/mol
Exact Mass354.99
IUPAC Name8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)C(c1c(Cl)cncc1Cl)=CCC2
InChIInChI=1S/C16H11Cl2NO2.ClH/c17-13-7-19-8-14(18)15(13)11-3-1-2-9-4-5-10(16(20)21)6-12(9)11;/h3-8H,1-2H2,(H,20,21);1H
InChIKeyUMKGTKUFDRDGCB-UHFFFAOYSA-N
XLogP4.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride 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 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride (CID 158967424) is 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)C(c1c(Cl)cncc1Cl)=CCC2.
What is the InChIKey of 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is UMKGTKUFDRDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2.ClH/c17-13-7-19-8-14(18)15(13)11-3-1-2-9-4-5-10(16(20)21)6-12(9)11;/h3-8H,1-2H2,(H,20,21);1H.
What are the key properties of 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride?
8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 356.64 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158967424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).