7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid

C21H13Cl2NO3S — CID 42630688

IUPAC7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1
InChIInChI=1S/C21H13Cl2NO3S/c22-19-8-24-9-20(23)18(19)10-27-15-1-2-16-13(6-15)5-14(21(25)26)7-17(16)12-3-4-28-11-12/h1-9,11H,10H2,(H,25,26)
InChIKeyRMHVTDQQEHXVIA-UHFFFAOYSA-N
MW430.31 g/mol
LogP6.55
Rot. Bonds5

About 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid

7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid (PubChem CID 42630688) has the molecular formula C21H13Cl2NO3S and a molecular weight of 430.31 g/mol. Its IUPAC name is 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
PubChem CID42630688
Molecular FormulaC21H13Cl2NO3S
Molecular Weight430.31 g/mol
Exact Mass429.00
IUPAC Name7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1
InChIInChI=1S/C21H13Cl2NO3S/c22-19-8-24-9-20(23)18(19)10-27-15-1-2-16-13(6-15)5-14(21(25)26)7-17(16)12-3-4-28-11-12/h1-9,11H,10H2,(H,25,26)
InChIKeyRMHVTDQQEHXVIA-UHFFFAOYSA-N
XLogP6.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid 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 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid (CID 42630688) is 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid is O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1.
What is the InChIKey of 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The InChIKey is RMHVTDQQEHXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO3S/c22-19-8-24-9-20(23)18(19)10-27-15-1-2-16-13(6-15)5-14(21(25)26)7-17(16)12-3-4-28-11-12/h1-9,11H,10H2,(H,25,26).
What are the key properties of 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid has a molecular weight of 430.31 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichloro-4-pyridinyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 42630688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).