2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid

C16H14ClNO3 — CID 43166910

IUPAC2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(OC2CCCc3ccccc32)c1
InChIInChI=1S/C16H14ClNO3/c17-14-8-11(16(19)20)9-15(18-14)21-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,19,20)
InChIKeyKTQGDMZUNOPDIL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid

2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid (PubChem CID 43166910) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
PubChem CID43166910
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(OC2CCCc3ccccc32)c1
InChIInChI=1S/C16H14ClNO3/c17-14-8-11(16(19)20)9-15(18-14)21-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,19,20)
InChIKeyKTQGDMZUNOPDIL-UHFFFAOYSA-N
XLogP3.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-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 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid (CID 43166910) is 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(OC2CCCc3ccccc32)c1.
What is the InChIKey of 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid?
The InChIKey is KTQGDMZUNOPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-8-11(16(19)20)9-15(18-14)21-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,19,20).
What are the key properties of 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid?
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid has a molecular weight of 303.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43166910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).