2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid

C14H12ClNO4 — CID 106500459

IUPAC2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C14H12ClNO4/c1-19-13-4-2-3-9(16-13)8-20-10-5-6-12(15)11(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyCRYURCVMSJIULE-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid

2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid (PubChem CID 106500459) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
PubChem CID106500459
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C14H12ClNO4/c1-19-13-4-2-3-9(16-13)8-20-10-5-6-12(15)11(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyCRYURCVMSJIULE-UHFFFAOYSA-N
XLogP3.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 106500538
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid (CID 106500459) is 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid is COc1cccc(COc2ccc(Cl)c(C(=O)O)c2)n1.
What is the InChIKey of 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The InChIKey is CRYURCVMSJIULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-13-4-2-3-9(16-13)8-20-10-5-6-12(15)11(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid has a molecular weight of 293.71 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 106500459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).