2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid

C15H14ClNO4 — CID 91034439

IUPAC2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClNO4/c1-20-12-4-5-13(15(18)19)14(8-12)21-7-6-11-3-2-10(16)9-17-11/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHOBOBCKXTBHNLV-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.06
Rot. Bonds6

About 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid

2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid (PubChem CID 91034439) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
PubChem CID91034439
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClNO4/c1-20-12-4-5-13(15(18)19)14(8-12)21-7-6-11-3-2-10(16)9-17-11/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHOBOBCKXTBHNLV-UHFFFAOYSA-N
XLogP3.06
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
CID 91190692
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
4-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190587
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid (CID 91034439) is 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCCc2ccc(Cl)cn2)c1.
What is the InChIKey of 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid?
The InChIKey is HOBOBCKXTBHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-12-4-5-13(15(18)19)14(8-12)21-7-6-11-3-2-10(16)9-17-11/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid?
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid has a molecular weight of 307.73 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 91034439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).