3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid

C14H11Cl2NO3 — CID 102881324

IUPAC3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
SMILESCc1cncc(COc2c(Cl)cc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c1-8-2-9(6-17-5-8)7-20-13-11(14(18)19)3-10(15)4-12(13)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyAXMYSCJHKGJGHI-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.97
Rot. Bonds4

About 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid

3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid (PubChem CID 102881324) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
PubChem CID102881324
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
SMILESCc1cncc(COc2c(Cl)cc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c1-8-2-9(6-17-5-8)7-20-13-11(14(18)19)3-10(15)4-12(13)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyAXMYSCJHKGJGHI-UHFFFAOYSA-N
XLogP3.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic 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

3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 102880260
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid (CID 102881324) is 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid is Cc1cncc(COc2c(Cl)cc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid?
The InChIKey is AXMYSCJHKGJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-8-2-9(6-17-5-8)7-20-13-11(14(18)19)3-10(15)4-12(13)16/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid?
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid has a molecular weight of 312.15 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 102881324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).